2-(2,2-dicyclohexylethyl)piperidine

C19H35N — CID 4746

💊View drug profile → perhexiline
IUPAC2-(2,2-dicyclohexylethyl)piperidine
SMILESC1CCC(C(CC2CCCCN2)C2CCCCC2)CC1
InChIInChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2
InChIKeyCYXKNKQEMFBLER-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.30
Rot. Bonds4

About 2-(2,2-dicyclohexylethyl)piperidine

2-(2,2-dicyclohexylethyl)piperidine (PubChem CID 4746) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 2-(2,2-dicyclohexylethyl)piperidine.

Molecular Properties

Compound Name2-(2,2-dicyclohexylethyl)piperidine
PubChem CID4746
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name2-(2,2-dicyclohexylethyl)piperidine
SMILESC1CCC(C(CC2CCCCN2)C2CCCCC2)CC1
InChIInChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2
InChIKeyCYXKNKQEMFBLER-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Perhexiline, (S)-
CID 6604329
4-(Cyclohexylmethyl)piperidine
CID 98883
3-Cyclohexylpiperidine
CID 3809353
4,4'-Methylenebis(N-sec-butylcyclohexamine)
CID 21885336
2-[2-Cyclohexyl-2-(4,4-difluorocyclohexyl)ethyl]piperidine
CID 86280033
2-[2,2-Bis(4,4-difluorocyclohexyl)ethyl]piperidine
CID 86293528
Perhexiline, (R)-
CID 38988177
N'-[3-(1,3-dicyclohexylpropan-2-ylamino)propyl]propane-1,3-diamine;hydrochloride
CID 90674828
N'-[3-(1,5-dicyclohexylpentan-3-ylamino)propyl]propane-1,3-diamine;hydrochloride
CID 90674830
N'-[3-(1,7-dicyclohexylheptan-4-ylamino)propyl]propane-1,3-diamine;hydrochloride
CID 90674831
N'-[3-(1,9-dicyclohexylnonan-5-ylamino)propyl]propane-1,3-diamine;hydrochloride
CID 90674832
2-[2-Cyclohexyl-2-(3,3-difluorocyclohexyl)ethyl]piperidine
CID 137634931

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dicyclohexylethyl)piperidine?
The IUPAC name of 2-(2,2-dicyclohexylethyl)piperidine (CID 4746) is 2-(2,2-dicyclohexylethyl)piperidine.
What is the SMILES notation for 2-(2,2-dicyclohexylethyl)piperidine?
The canonical SMILES for 2-(2,2-dicyclohexylethyl)piperidine is C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1.
What is the InChIKey of 2-(2,2-dicyclohexylethyl)piperidine?
The InChIKey is CYXKNKQEMFBLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2.
What are the key properties of 2-(2,2-dicyclohexylethyl)piperidine?
2-(2,2-dicyclohexylethyl)piperidine has a molecular weight of 277.50 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dicyclohexylethyl)piperidine is sourced from PubChem (CID 4746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).