2,2-dicyclohexylpiperidine

C17H31N — CID 163183548

IUPAC2,2-dicyclohexylpiperidine
SMILESC1CCC(C2(C3CCCCC3)CCCCN2)CC1
InChIInChI=1S/C17H31N/c1-3-9-15(10-4-1)17(13-7-8-14-18-17)16-11-5-2-6-12-16/h15-16,18H,1-14H2
InChIKeyXMBXKTBMBRLSFS-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.66
Rot. Bonds2

About 2,2-dicyclohexylpiperidine

2,2-dicyclohexylpiperidine (PubChem CID 163183548) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 2,2-dicyclohexylpiperidine.

Molecular Properties

Compound Name2,2-dicyclohexylpiperidine
PubChem CID163183548
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name2,2-dicyclohexylpiperidine
SMILESC1CCC(C2(C3CCCCC3)CCCCN2)CC1
InChIInChI=1S/C17H31N/c1-3-9-15(10-4-1)17(13-7-8-14-18-17)16-11-5-2-6-12-16/h15-16,18H,1-14H2
InChIKeyXMBXKTBMBRLSFS-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclohexylpiperidine?
The IUPAC name of 2,2-dicyclohexylpiperidine (CID 163183548) is 2,2-dicyclohexylpiperidine.
What is the SMILES notation for 2,2-dicyclohexylpiperidine?
The canonical SMILES for 2,2-dicyclohexylpiperidine is C1CCC(C2(C3CCCCC3)CCCCN2)CC1.
What is the InChIKey of 2,2-dicyclohexylpiperidine?
The InChIKey is XMBXKTBMBRLSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-3-9-15(10-4-1)17(13-7-8-14-18-17)16-11-5-2-6-12-16/h15-16,18H,1-14H2.
What are the key properties of 2,2-dicyclohexylpiperidine?
2,2-dicyclohexylpiperidine has a molecular weight of 249.44 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclohexylpiperidine is sourced from PubChem (CID 163183548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).