2-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]piperidine

C20H31N — CID 117460005

IUPAC2-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]piperidine
SMILESCC1(C)CCCC(c2ccc(CC3CCCCN3)cc2)C1
InChIInChI=1S/C20H31N/c1-20(2)12-5-6-18(15-20)17-10-8-16(9-11-17)14-19-7-3-4-13-21-19/h8-11,18-19,21H,3-7,12-15H2,1-2H3
InChIKeyHPJPEXLVSXNRTG-UHFFFAOYSA-N
MW285.48 g/mol
LogP5.05
Rot. Bonds3

About 2-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]piperidine

2-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]piperidine (PubChem CID 117460005) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is 2-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name2-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]piperidine
PubChem CID117460005
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC Name2-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]piperidine
SMILESCC1(C)CCCC(c2ccc(CC3CCCCN3)cc2)C1
InChIInChI=1S/C20H31N/c1-20(2)12-5-6-18(15-20)17-10-8-16(9-11-17)14-19-7-3-4-13-21-19/h8-11,18-19,21H,3-7,12-15H2,1-2H3
InChIKeyHPJPEXLVSXNRTG-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[3-(3,3-dimethylcyclohexyl)phenyl]methyl]pyrrolidine
CID 117431700
2-[(4-cyclopropylphenyl)methyl]piperidine
CID 117307185
2-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine
CID 116988436
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
1-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]cyclopropan-1-amine
CID 117397294
3-[4-(3,3-dimethylcyclohexyl)phenyl]propanal
CID 117363267
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol
CID 117339227
2-[(4-propan-2-ylsulfanylphenyl)methyl]piperidine
CID 82499085
2-[[4-(2-methoxyethyl)phenyl]methyl]piperidine
CID 117339226
2-[(4-butan-2-ylphenyl)methyl]piperidine
CID 82341703
2-methyl-2-[4-(piperidin-2-ylmethyl)phenyl]propan-1-ol
CID 117118109

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]piperidine?
The IUPAC name of 2-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]piperidine (CID 117460005) is 2-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]piperidine.
What is the SMILES notation for 2-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]piperidine?
The canonical SMILES for 2-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]piperidine is CC1(C)CCCC(c2ccc(CC3CCCCN3)cc2)C1.
What is the InChIKey of 2-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]piperidine?
The InChIKey is HPJPEXLVSXNRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-20(2)12-5-6-18(15-20)17-10-8-16(9-11-17)14-19-7-3-4-13-21-19/h8-11,18-19,21H,3-7,12-15H2,1-2H3.
What are the key properties of 2-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]piperidine?
2-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]piperidine has a molecular weight of 285.48 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]piperidine is sourced from PubChem (CID 117460005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).