4-(4-tert-butylcyclohexyl)-3-cyclopentylpiperidine

C20H37N — CID 104576151

IUPAC4-(4-tert-butylcyclohexyl)-3-cyclopentylpiperidine
SMILESCC(C)(C)C1CCC(C2CCNCC2C2CCCC2)CC1
InChIInChI=1S/C20H37N/c1-20(2,3)17-10-8-16(9-11-17)18-12-13-21-14-19(18)15-6-4-5-7-15/h15-19,21H,4-14H2,1-3H3
InChIKeyNMPGJNVNVAGYBH-UHFFFAOYSA-N
MW291.52 g/mol
LogP5.25
Rot. Bonds2

About 4-(4-tert-butylcyclohexyl)-3-cyclopentylpiperidine

4-(4-tert-butylcyclohexyl)-3-cyclopentylpiperidine (PubChem CID 104576151) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is 4-(4-tert-butylcyclohexyl)-3-cyclopentylpiperidine.

Molecular Properties

Compound Name4-(4-tert-butylcyclohexyl)-3-cyclopentylpiperidine
PubChem CID104576151
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name4-(4-tert-butylcyclohexyl)-3-cyclopentylpiperidine
SMILESCC(C)(C)C1CCC(C2CCNCC2C2CCCC2)CC1
InChIInChI=1S/C20H37N/c1-20(2,3)17-10-8-16(9-11-17)18-12-13-21-14-19(18)15-6-4-5-7-15/h15-19,21H,4-14H2,1-3H3
InChIKeyNMPGJNVNVAGYBH-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylcyclohexyl)-3-cyclopentylpiperidine?
The IUPAC name of 4-(4-tert-butylcyclohexyl)-3-cyclopentylpiperidine (CID 104576151) is 4-(4-tert-butylcyclohexyl)-3-cyclopentylpiperidine.
What is the SMILES notation for 4-(4-tert-butylcyclohexyl)-3-cyclopentylpiperidine?
The canonical SMILES for 4-(4-tert-butylcyclohexyl)-3-cyclopentylpiperidine is CC(C)(C)C1CCC(C2CCNCC2C2CCCC2)CC1.
What is the InChIKey of 4-(4-tert-butylcyclohexyl)-3-cyclopentylpiperidine?
The InChIKey is NMPGJNVNVAGYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-20(2,3)17-10-8-16(9-11-17)18-12-13-21-14-19(18)15-6-4-5-7-15/h15-19,21H,4-14H2,1-3H3.
What are the key properties of 4-(4-tert-butylcyclohexyl)-3-cyclopentylpiperidine?
4-(4-tert-butylcyclohexyl)-3-cyclopentylpiperidine has a molecular weight of 291.52 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylcyclohexyl)-3-cyclopentylpiperidine is sourced from PubChem (CID 104576151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).