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CAS 1219960-65-2 1-Methyl-4-(2-pyrrolidinylmethyl)piperazinedihydrochloride molecular structure lightbox
CAS RN: 1219960-65-2

1-Methyl-4-(2-pyrrolidinylmethyl)piperazinedihydrochloride

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251111 100mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250630 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250118 250mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260526 5g Out of stock Inquiry
  • Product code: starshine_CAS1219960-65-2
  • Purity/Analytical Methods: >99.0%
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1219960-65-2 / 1-methyl-4-(pyrrolidin-2-ylmethyl)piperazine;dihydrochloride

Standard CAS: 1219960-65-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1219960-65-2
Multi CAS
No
Molecular Formula
C10H23Cl2N3
Molecular Weight
256.210000
Exact Mass
255.126903
SMILES
CN1CCN(CC1)CC2CCCN2.Cl.Cl
InChI
InChI=1S/C10H21N3.2ClH/c1-12-5-7-13(8-6-12)9-10-3-2-4-11-10;;/h10-11H,2-9H2,1H3;2*1H
InChIKey
NWJFWTWIIPNWEO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.46
TPSA
18.51

LogP / Solubility

WLOGP
0.83
MLOGP
0.74
XLogP3
0.83
Consensus LogP
0.8
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
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)
-3.69

Drug-likeness / Medicinal Chemistry

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

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