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CAS 132871-12-6 (S)-2-METHYL-4-BENZYLPIPERAZINE molecular structure lightbox
CAS RN: 132871-12-6

(S)-2-METHYL-4-BENZYLPIPERAZINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250520 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-039589
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 132871-12-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

132871-12-6 / (3S)-1-benzyl-3-methylpiperazine

Standard CAS: 132871-12-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
132871-12-6
Multi CAS
No
Molecular Formula
C12H18N2
Molecular Weight
190.280000
Exact Mass
190.146999
SMILES
C[C@H]1CN(CCN1)CC2=CC=CC=C2
InChI
InChI=1S/C12H18N2/c1-11-9-14(8-7-13-11)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-/m0/s1
InChIKey
QOFUDSPYJDXBOF-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.18
TPSA
15.27

LogP / Solubility

WLOGP
1.48
MLOGP
1.3
XLogP3
1.5
Consensus LogP
1.43
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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