[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methylphenyl)methanol

C29H41NO — CID 13409097

IUPAC[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cccc(C(C)CN3CCCCC3CC3CCCCC3)c2)cc1
InChIInChI=1S/C29H41NO/c1-22-14-16-25(17-15-22)29(31)27-12-8-11-26(20-27)23(2)21-30-18-7-6-13-28(30)19-24-9-4-3-5-10-24/h8,11-12,14-17,20,23-24,28-29,31H,3-7,9-10,13,18-19,21H2,1-2H3
InChIKeyGJBDYIWLLXEWQA-UHFFFAOYSA-N
MW419.65 g/mol
LogP7.01
Rot. Bonds7

About [3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methylphenyl)methanol

[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methylphenyl)methanol (PubChem CID 13409097) has the molecular formula C29H41NO and a molecular weight of 419.65 g/mol. Its IUPAC name is [3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methylphenyl)methanol.

Molecular Properties

Compound Name[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methylphenyl)methanol
PubChem CID13409097
Molecular FormulaC29H41NO
Molecular Weight419.65 g/mol
Exact Mass419.32
IUPAC Name[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cccc(C(C)CN3CCCCC3CC3CCCCC3)c2)cc1
InChIInChI=1S/C29H41NO/c1-22-14-16-25(17-15-22)29(31)27-12-8-11-26(20-27)23(2)21-30-18-7-6-13-28(30)19-24-9-4-3-5-10-24/h8,11-12,14-17,20,23-24,28-29,31H,3-7,9-10,13,18-19,21H2,1-2H3
InChIKeyGJBDYIWLLXEWQA-UHFFFAOYSA-N
XLogP7.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.65
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methylphenyl)methanol?
The IUPAC name of [3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methylphenyl)methanol (CID 13409097) is [3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methylphenyl)methanol.
What is the SMILES notation for [3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methylphenyl)methanol?
The canonical SMILES for [3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methylphenyl)methanol is Cc1ccc(C(O)c2cccc(C(C)CN3CCCCC3CC3CCCCC3)c2)cc1.
What is the InChIKey of [3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methylphenyl)methanol?
The InChIKey is GJBDYIWLLXEWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41NO/c1-22-14-16-25(17-15-22)29(31)27-12-8-11-26(20-27)23(2)21-30-18-7-6-13-28(30)19-24-9-4-3-5-10-24/h8,11-12,14-17,20,23-24,28-29,31H,3-7,9-10,13,18-19,21H2,1-2H3.
What are the key properties of [3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methylphenyl)methanol?
[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methylphenyl)methanol has a molecular weight of 419.65 g/mol, XLogP of 7.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methylphenyl)methanol is sourced from PubChem (CID 13409097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).