3-[[3-(4-tert-butylcyclohexyl)phenyl]methyl]piperidine

C22H35N — CID 117498825

IUPAC3-[[3-(4-tert-butylcyclohexyl)phenyl]methyl]piperidine
SMILESCC(C)(C)C1CCC(c2cccc(CC3CCCNC3)c2)CC1
InChIInChI=1S/C22H35N/c1-22(2,3)21-11-9-19(10-12-21)20-8-4-6-17(15-20)14-18-7-5-13-23-16-18/h4,6,8,15,18-19,21,23H,5,7,9-14,16H2,1-3H3
InChIKeyHKXJNARZPRQOIY-UHFFFAOYSA-N
MW313.53 g/mol
LogP5.55
Rot. Bonds3

About 3-[[3-(4-tert-butylcyclohexyl)phenyl]methyl]piperidine

3-[[3-(4-tert-butylcyclohexyl)phenyl]methyl]piperidine (PubChem CID 117498825) has the molecular formula C22H35N and a molecular weight of 313.53 g/mol. Its IUPAC name is 3-[[3-(4-tert-butylcyclohexyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name3-[[3-(4-tert-butylcyclohexyl)phenyl]methyl]piperidine
PubChem CID117498825
Molecular FormulaC22H35N
Molecular Weight313.53 g/mol
Exact Mass313.28
IUPAC Name3-[[3-(4-tert-butylcyclohexyl)phenyl]methyl]piperidine
SMILESCC(C)(C)C1CCC(c2cccc(CC3CCCNC3)c2)CC1
InChIInChI=1S/C22H35N/c1-22(2,3)21-11-9-19(10-12-21)20-8-4-6-17(15-20)14-18-7-5-13-23-16-18/h4,6,8,15,18-19,21,23H,5,7,9-14,16H2,1-3H3
InChIKeyHKXJNARZPRQOIY-UHFFFAOYSA-N
XLogP5.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[3-(piperidin-3-ylmethyl)phenyl]piperidine
CID 117434154
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine
CID 84701353
3-(piperidin-3-ylmethyl)phenol
CID 57155980
3-[(3-propan-2-ylphenyl)methyl]piperidine
CID 84785652
3-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine
CID 84815306
3-[(4-cyclobutylphenyl)methyl]piperidine
CID 84793090
1-[3-(piperidin-3-ylmethyl)phenyl]ethane-1,2-diol
CID 117342846
1-methyl-1-[3-(piperidin-3-ylmethyl)phenyl]urea
CID 117371572
N-methyl-1-(3-piperidin-3-ylphenyl)methanamine
CID 116988688
(3-piperidin-3-ylphenyl)methanamine
CID 82603658

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-tert-butylcyclohexyl)phenyl]methyl]piperidine?
The IUPAC name of 3-[[3-(4-tert-butylcyclohexyl)phenyl]methyl]piperidine (CID 117498825) is 3-[[3-(4-tert-butylcyclohexyl)phenyl]methyl]piperidine.
What is the SMILES notation for 3-[[3-(4-tert-butylcyclohexyl)phenyl]methyl]piperidine?
The canonical SMILES for 3-[[3-(4-tert-butylcyclohexyl)phenyl]methyl]piperidine is CC(C)(C)C1CCC(c2cccc(CC3CCCNC3)c2)CC1.
What is the InChIKey of 3-[[3-(4-tert-butylcyclohexyl)phenyl]methyl]piperidine?
The InChIKey is HKXJNARZPRQOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N/c1-22(2,3)21-11-9-19(10-12-21)20-8-4-6-17(15-20)14-18-7-5-13-23-16-18/h4,6,8,15,18-19,21,23H,5,7,9-14,16H2,1-3H3.
What are the key properties of 3-[[3-(4-tert-butylcyclohexyl)phenyl]methyl]piperidine?
3-[[3-(4-tert-butylcyclohexyl)phenyl]methyl]piperidine has a molecular weight of 313.53 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-tert-butylcyclohexyl)phenyl]methyl]piperidine is sourced from PubChem (CID 117498825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).