4-benzyl-1-(6-methylpiperidin-3-yl)piperidine

C18H28N2 — CID 63158209

IUPAC4-benzyl-1-(6-methylpiperidin-3-yl)piperidine
SMILESCC1CCC(N2CCC(Cc3ccccc3)CC2)CN1
InChIInChI=1S/C18H28N2/c1-15-7-8-18(14-19-15)20-11-9-17(10-12-20)13-16-5-3-2-4-6-16/h2-6,15,17-19H,7-14H2,1H3
InChIKeyZBPKNBGVPNZFFP-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.08
Rot. Bonds3

About 4-benzyl-1-(6-methylpiperidin-3-yl)piperidine

4-benzyl-1-(6-methylpiperidin-3-yl)piperidine (PubChem CID 63158209) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 4-benzyl-1-(6-methylpiperidin-3-yl)piperidine.

Molecular Properties

Compound Name4-benzyl-1-(6-methylpiperidin-3-yl)piperidine
PubChem CID63158209
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name4-benzyl-1-(6-methylpiperidin-3-yl)piperidine
SMILESCC1CCC(N2CCC(Cc3ccccc3)CC2)CN1
InChIInChI=1S/C18H28N2/c1-15-7-8-18(14-19-15)20-11-9-17(10-12-20)13-16-5-3-2-4-6-16/h2-6,15,17-19H,7-14H2,1H3
InChIKeyZBPKNBGVPNZFFP-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 130765176
4-(4-benzylpiperidin-1-yl)cyclohexan-1-amine
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2-(6-methylpiperidin-3-yl)-1,3-dihydroisoindole
CID 63155487
4-benzyl-1-methylpiperidine;ethane
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4-benzyl-1-propan-2-ylpiperidine
CID 22959492
4-benzyl-1-methoxypiperidine
CID 146666995
4-benzyl-1-(2-methylbutan-2-yl)piperidine
CID 70930058
2-benzyl-1,5-dimethylpiperazine
CID 64844005
cyclopropylmethylbenzene;ethane;methane
CID 142248267
5-(6-methylpiperidin-3-yl)-1,2,5-dithiazepane
CID 131223573
4-benzyl-1-methylazepane
CID 123177845
2-(4-benzylpiperidin-1-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120599103

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(6-methylpiperidin-3-yl)piperidine?
The IUPAC name of 4-benzyl-1-(6-methylpiperidin-3-yl)piperidine (CID 63158209) is 4-benzyl-1-(6-methylpiperidin-3-yl)piperidine.
What is the SMILES notation for 4-benzyl-1-(6-methylpiperidin-3-yl)piperidine?
The canonical SMILES for 4-benzyl-1-(6-methylpiperidin-3-yl)piperidine is CC1CCC(N2CCC(Cc3ccccc3)CC2)CN1.
What is the InChIKey of 4-benzyl-1-(6-methylpiperidin-3-yl)piperidine?
The InChIKey is ZBPKNBGVPNZFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15-7-8-18(14-19-15)20-11-9-17(10-12-20)13-16-5-3-2-4-6-16/h2-6,15,17-19H,7-14H2,1H3.
What are the key properties of 4-benzyl-1-(6-methylpiperidin-3-yl)piperidine?
4-benzyl-1-(6-methylpiperidin-3-yl)piperidine has a molecular weight of 272.44 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(6-methylpiperidin-3-yl)piperidine is sourced from PubChem (CID 63158209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).