4-[2-(4-cyclohexylphenyl)propan-2-yl]-1-propan-2-ylpiperidine

C23H37N — CID 146530215

IUPAC4-[2-(4-cyclohexylphenyl)propan-2-yl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(C(C)(C)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C23H37N/c1-18(2)24-16-14-22(15-17-24)23(3,4)21-12-10-20(11-13-21)19-8-6-5-7-9-19/h10-13,18-19,22H,5-9,14-17H2,1-4H3
InChIKeyLPGTWKBJZFEHAP-UHFFFAOYSA-N
MW327.56 g/mol
LogP6.13
Rot. Bonds4

About 4-[2-(4-cyclohexylphenyl)propan-2-yl]-1-propan-2-ylpiperidine

4-[2-(4-cyclohexylphenyl)propan-2-yl]-1-propan-2-ylpiperidine (PubChem CID 146530215) has the molecular formula C23H37N and a molecular weight of 327.56 g/mol. Its IUPAC name is 4-[2-(4-cyclohexylphenyl)propan-2-yl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[2-(4-cyclohexylphenyl)propan-2-yl]-1-propan-2-ylpiperidine
PubChem CID146530215
Molecular FormulaC23H37N
Molecular Weight327.56 g/mol
Exact Mass327.29
IUPAC Name4-[2-(4-cyclohexylphenyl)propan-2-yl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(C(C)(C)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C23H37N/c1-18(2)24-16-14-22(15-17-24)23(3,4)21-12-10-20(11-13-21)19-8-6-5-7-9-19/h10-13,18-19,22H,5-9,14-17H2,1-4H3
InChIKeyLPGTWKBJZFEHAP-UHFFFAOYSA-N
XLogP6.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.56
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-tert-butylphenyl)-1-propan-2-ylpiperidine
CID 69030309
1-cyclohexyl-4-(1,1-difluoro-2-methylpropyl)benzene
CID 116841385
4-(4-ethylphenyl)-1-propan-2-ylpiperidine
CID 69073931
3-(4-cyclohexylphenyl)-3-methylbutan-2-one
CID 82294466
1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene
CID 24843348
amino-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methanol
CID 146177045
2-(4-cyclohexylphenyl)-3-(thiolan-1-ium-1-yl)butan-2-ol
CID 163987340
1-cyclohexyl-4-(1,1,2,2-tetrafluoroethyl)benzene
CID 23236608
[4-(1-methoxyethyl)phenyl]cycloheptane
CID 143858990
1-amino-2-(4-cyclobutylphenyl)propan-2-ol
CID 116505464
4-[difluoro(phenyl)methyl]-1-propan-2-ylpiperidine
CID 164918393
19-(4-cycloundecylphenyl)-9-[4-(2-cycloundecylpropan-2-yl)phenyl]-11-oxa-9,19-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene
CID 134490808

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyclohexylphenyl)propan-2-yl]-1-propan-2-ylpiperidine?
The IUPAC name of 4-[2-(4-cyclohexylphenyl)propan-2-yl]-1-propan-2-ylpiperidine (CID 146530215) is 4-[2-(4-cyclohexylphenyl)propan-2-yl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[2-(4-cyclohexylphenyl)propan-2-yl]-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[2-(4-cyclohexylphenyl)propan-2-yl]-1-propan-2-ylpiperidine is CC(C)N1CCC(C(C)(C)c2ccc(C3CCCCC3)cc2)CC1.
What is the InChIKey of 4-[2-(4-cyclohexylphenyl)propan-2-yl]-1-propan-2-ylpiperidine?
The InChIKey is LPGTWKBJZFEHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N/c1-18(2)24-16-14-22(15-17-24)23(3,4)21-12-10-20(11-13-21)19-8-6-5-7-9-19/h10-13,18-19,22H,5-9,14-17H2,1-4H3.
What are the key properties of 4-[2-(4-cyclohexylphenyl)propan-2-yl]-1-propan-2-ylpiperidine?
4-[2-(4-cyclohexylphenyl)propan-2-yl]-1-propan-2-ylpiperidine has a molecular weight of 327.56 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-cyclohexylphenyl)propan-2-yl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 146530215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).