1-(1-benzylpiperidin-4-yl)azocane

C19H30N2 — CID 2846402

IUPAC1-(1-benzylpiperidin-4-yl)azocane
SMILESc1ccc(CN2CCC(N3CCCCCCC3)CC2)cc1
InChIInChI=1S/C19H30N2/c1-2-7-13-21(14-8-3-1)19-11-15-20(16-12-19)17-18-9-5-4-6-10-18/h4-6,9-10,19H,1-3,7-8,11-17H2
InChIKeyPWLSZLLZESRRPD-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.92
Rot. Bonds3

About 1-(1-benzylpiperidin-4-yl)azocane

1-(1-benzylpiperidin-4-yl)azocane (PubChem CID 2846402) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)azocane.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)azocane
PubChem CID2846402
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-(1-benzylpiperidin-4-yl)azocane
SMILESc1ccc(CN2CCC(N3CCCCCCC3)CC2)cc1
InChIInChI=1S/C19H30N2/c1-2-7-13-21(14-8-3-1)19-11-15-20(16-12-19)17-18-9-5-4-6-10-18/h4-6,9-10,19H,1-3,7-8,11-17H2
InChIKeyPWLSZLLZESRRPD-UHFFFAOYSA-N
XLogP3.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-cyclopropylpiperazine
CID 69195043
1-(1-benzylpiperidin-4-yl)piperidin-4-ol
CID 67272846
azocan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone
CID 45192001
1-benzyl-4-(3-methylpiperidin-1-yl)piperidine
CID 2846252
azepan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone;oxalic acid
CID 90483690
1-benzylazepane
CID 10954328
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
4-piperidin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 27267003
1-benzyl-4-cyclohexylpiperazine;oxalic acid
CID 126476719
1-(1-benzylpiperidin-4-yl)-4-tert-butylpiperazine
CID 68898535
[(3S)-1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanamine
CID 27440328
(9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 86333935

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)azocane?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)azocane (CID 2846402) is 1-(1-benzylpiperidin-4-yl)azocane.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)azocane?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)azocane is c1ccc(CN2CCC(N3CCCCCCC3)CC2)cc1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)azocane?
The InChIKey is PWLSZLLZESRRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-2-7-13-21(14-8-3-1)19-11-15-20(16-12-19)17-18-9-5-4-6-10-18/h4-6,9-10,19H,1-3,7-8,11-17H2.
What are the key properties of 1-(1-benzylpiperidin-4-yl)azocane?
1-(1-benzylpiperidin-4-yl)azocane has a molecular weight of 286.46 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)azocane is sourced from PubChem (CID 2846402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).