1-benzyl-4-(3-methylpiperidin-1-yl)piperidine

C18H28N2 — CID 2846252

IUPAC1-benzyl-4-(3-methylpiperidin-1-yl)piperidine
SMILESCC1CCCN(C2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C18H28N2/c1-16-6-5-11-20(14-16)18-9-12-19(13-10-18)15-17-7-3-2-4-8-17/h2-4,7-8,16,18H,5-6,9-15H2,1H3
InChIKeyAJOBIHBUWYBCQT-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.38
Rot. Bonds3

About 1-benzyl-4-(3-methylpiperidin-1-yl)piperidine

1-benzyl-4-(3-methylpiperidin-1-yl)piperidine (PubChem CID 2846252) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-benzyl-4-(3-methylpiperidin-1-yl)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(3-methylpiperidin-1-yl)piperidine
PubChem CID2846252
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-benzyl-4-(3-methylpiperidin-1-yl)piperidine
SMILESCC1CCCN(C2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C18H28N2/c1-16-6-5-11-20(14-16)18-9-12-19(13-10-18)15-17-7-3-2-4-8-17/h2-4,7-8,16,18H,5-6,9-15H2,1H3
InChIKeyAJOBIHBUWYBCQT-UHFFFAOYSA-N
XLogP3.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-ethylphenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine
CID 2910705
(3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine
CID 7047234
1-[(4-ethoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine
CID 806803
1-benzyl-3-methylpiperidine
CID 2794856
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
[(3S)-1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanamine
CID 27440328
(3S,5R)-1-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperazine
CID 130914689
azocan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone
CID 45192001
azepan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone;oxalic acid
CID 90483690
[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 56752149
1-(1-benzylpyrrolidin-3-yl)piperidin-3-amine
CID 61296822
1-(1-benzylpiperidin-4-yl)-N-ethyl-N-methylpiperidine-3-carboxamide
CID 45171529

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-methylpiperidin-1-yl)piperidine?
The IUPAC name of 1-benzyl-4-(3-methylpiperidin-1-yl)piperidine (CID 2846252) is 1-benzyl-4-(3-methylpiperidin-1-yl)piperidine.
What is the SMILES notation for 1-benzyl-4-(3-methylpiperidin-1-yl)piperidine?
The canonical SMILES for 1-benzyl-4-(3-methylpiperidin-1-yl)piperidine is CC1CCCN(C2CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of 1-benzyl-4-(3-methylpiperidin-1-yl)piperidine?
The InChIKey is AJOBIHBUWYBCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-16-6-5-11-20(14-16)18-9-12-19(13-10-18)15-17-7-3-2-4-8-17/h2-4,7-8,16,18H,5-6,9-15H2,1H3.
What are the key properties of 1-benzyl-4-(3-methylpiperidin-1-yl)piperidine?
1-benzyl-4-(3-methylpiperidin-1-yl)piperidine has a molecular weight of 272.44 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-methylpiperidin-1-yl)piperidine is sourced from PubChem (CID 2846252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).