4-cycloheptyl-1-(2-cyclohexylethyl)piperidine

C20H37N — CID 166912804

IUPAC4-cycloheptyl-1-(2-cyclohexylethyl)piperidine
SMILESC1CCC(CCN2CCC(C3CCCCCC3)CC2)CC1
InChIInChI=1S/C20H37N/c1-2-7-11-19(10-6-1)20-13-16-21(17-14-20)15-12-18-8-4-3-5-9-18/h18-20H,1-17H2
InChIKeyIBXIQBPFQKOFBT-UHFFFAOYSA-N
MW291.52 g/mol
LogP5.64
Rot. Bonds4

About 4-cycloheptyl-1-(2-cyclohexylethyl)piperidine

4-cycloheptyl-1-(2-cyclohexylethyl)piperidine (PubChem CID 166912804) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is 4-cycloheptyl-1-(2-cyclohexylethyl)piperidine.

Molecular Properties

Compound Name4-cycloheptyl-1-(2-cyclohexylethyl)piperidine
PubChem CID166912804
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name4-cycloheptyl-1-(2-cyclohexylethyl)piperidine
SMILESC1CCC(CCN2CCC(C3CCCCCC3)CC2)CC1
InChIInChI=1S/C20H37N/c1-2-7-11-19(10-6-1)20-13-16-21(17-14-20)15-12-18-8-4-3-5-9-18/h18-20H,1-17H2
InChIKeyIBXIQBPFQKOFBT-UHFFFAOYSA-N
XLogP5.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 162302406
1-(2-chloroethyl)-4-(2-cyclohexylethyl)-1,4-diazepane
CID 114192641
1-(2-cyclopentylethyl)-N-methylpiperidin-4-amine;hydrochloride
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(3aS)-5-(2-cyclohexylethyl)-2-(2,2,2-trifluoroethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 145451253
1-(3-cyclohexylpropyl)piperidine
CID 21333467
1-(2-cyclobutylethyl)-4-propan-2-ylpiperidine
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1-(2-cyclopentylethyl)-N-propylpiperidin-4-amine
CID 54932891
1-cyclohexyl-6-propylcyclodecane
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4-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
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4-methyl-1-[2-(4-methylcyclohexyl)ethyl]piperidine
CID 129059218

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-1-(2-cyclohexylethyl)piperidine?
The IUPAC name of 4-cycloheptyl-1-(2-cyclohexylethyl)piperidine (CID 166912804) is 4-cycloheptyl-1-(2-cyclohexylethyl)piperidine.
What is the SMILES notation for 4-cycloheptyl-1-(2-cyclohexylethyl)piperidine?
The canonical SMILES for 4-cycloheptyl-1-(2-cyclohexylethyl)piperidine is C1CCC(CCN2CCC(C3CCCCCC3)CC2)CC1.
What is the InChIKey of 4-cycloheptyl-1-(2-cyclohexylethyl)piperidine?
The InChIKey is IBXIQBPFQKOFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-2-7-11-19(10-6-1)20-13-16-21(17-14-20)15-12-18-8-4-3-5-9-18/h18-20H,1-17H2.
What are the key properties of 4-cycloheptyl-1-(2-cyclohexylethyl)piperidine?
4-cycloheptyl-1-(2-cyclohexylethyl)piperidine has a molecular weight of 291.52 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-1-(2-cyclohexylethyl)piperidine is sourced from PubChem (CID 166912804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).