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CAS 1833637-34-5 1-benzyl-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)piperidin-4-aMine molecular structure lightbox
CAS RN: 1833637-34-5

1-benzyl-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)piperidin-4-aMine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260321 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINN926573
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1833637-34-5 / 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-4-amine

Standard CAS: 1833637-34-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1833637-34-5
Multi CAS
No
Molecular Formula
C20H24N2O2
Molecular Weight
324.400000
Exact Mass
324.183778
SMILES
C1CN(CCC1NC2=CC3=C(C=C2)OCCO3)CC4=CC=CC=C4
InChI
InChI=1S/C20H24N2O2/c1-2-4-16(5-3-1)15-22-10-8-17(9-11-22)21-18-6-7-19-20(14-18)24-13-12-23-19/h1-7,14,17,21H,8-13,15H2
InChIKey
ADBNAUQRSMRBQP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
95.8
TPSA
33.73

LogP / Solubility

WLOGP
3.53
MLOGP
3.13
XLogP3
3.7
Consensus LogP
3.45
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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