1-(3-methylcyclohexyl)-4-piperidin-1-ylpiperidine

C17H32N2 — CID 2845398

IUPAC1-(3-methylcyclohexyl)-4-piperidin-1-ylpiperidine
SMILESCC1CCCC(N2CCC(N3CCCCC3)CC2)C1
InChIInChI=1S/C17H32N2/c1-15-6-5-7-17(14-15)19-12-8-16(9-13-19)18-10-3-2-4-11-18/h15-17H,2-14H2,1H3
InChIKeyJXZJRVLMSAQATR-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.52
Rot. Bonds2

About 1-(3-methylcyclohexyl)-4-piperidin-1-ylpiperidine

1-(3-methylcyclohexyl)-4-piperidin-1-ylpiperidine (PubChem CID 2845398) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)-4-piperidin-1-ylpiperidine
PubChem CID2845398
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-(3-methylcyclohexyl)-4-piperidin-1-ylpiperidine
SMILESCC1CCCC(N2CCC(N3CCCCC3)CC2)C1
InChIInChI=1S/C17H32N2/c1-15-6-5-7-17(14-15)19-12-8-16(9-13-19)18-10-3-2-4-11-18/h15-17H,2-14H2,1H3
InChIKeyJXZJRVLMSAQATR-UHFFFAOYSA-N
XLogP3.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-(3-methylcyclohexyl)-4-piperidin-1-ylpiperidine (CID 2845398) is 1-(3-methylcyclohexyl)-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-(3-methylcyclohexyl)-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-(3-methylcyclohexyl)-4-piperidin-1-ylpiperidine is CC1CCCC(N2CCC(N3CCCCC3)CC2)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)-4-piperidin-1-ylpiperidine?
The InChIKey is JXZJRVLMSAQATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-15-6-5-7-17(14-15)19-12-8-16(9-13-19)18-10-3-2-4-11-18/h15-17H,2-14H2,1H3.
What are the key properties of 1-(3-methylcyclohexyl)-4-piperidin-1-ylpiperidine?
1-(3-methylcyclohexyl)-4-piperidin-1-ylpiperidine has a molecular weight of 264.46 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 2845398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).