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

C29H41NO2 — CID 12805100

IUPAC[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cccc(C(C)CN3CCCCC3CC3CCCCC3)c2)cc1
InChIInChI=1S/C29H41NO2/c1-22(21-30-18-7-6-13-27(30)19-23-9-4-3-5-10-23)25-11-8-12-26(20-25)29(31)24-14-16-28(32-2)17-15-24/h8,11-12,14-17,20,22-23,27,29,31H,3-7,9-10,13,18-19,21H2,1-2H3
InChIKeyRBOWGYFZKLNGOS-UHFFFAOYSA-N
MW435.65 g/mol
LogP6.71
Rot. Bonds8

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

[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methoxyphenyl)methanol (PubChem CID 12805100) has the molecular formula C29H41NO2 and a molecular weight of 435.65 g/mol. Its IUPAC name is [3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methoxyphenyl)methanol
PubChem CID12805100
Molecular FormulaC29H41NO2
Molecular Weight435.65 g/mol
Exact Mass435.31
IUPAC Name[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cccc(C(C)CN3CCCCC3CC3CCCCC3)c2)cc1
InChIInChI=1S/C29H41NO2/c1-22(21-30-18-7-6-13-27(30)19-23-9-4-3-5-10-23)25-11-8-12-26(20-25)29(31)24-14-16-28(32-2)17-15-24/h8,11-12,14-17,20,22-23,27,29,31H,3-7,9-10,13,18-19,21H2,1-2H3
InChIKeyRBOWGYFZKLNGOS-UHFFFAOYSA-N
XLogP6.71
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.65
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3689
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1-{3-[4-(1-Hydroxy-1-propylbutyl)-phenoxy]propyl}piperidine
CID 11978735
4-[4-(3-Piperidin-1-ylpropoxy)phenyl]hepta-1,6-dien-4-ol
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3-(4-(1-isopropylpiperidin-4-yloxy)phenyl)-N,N-dimethyl-3-phenoxypropan-1-amine
CID 24948317
1-(3-Fluoro-4-methoxyphenyl)-3-(morpholin-4-yl)-2-phenylpropan-1-ol--hydrogen chloride (1/1)
CID 3066418
9H-Xanthene-2,7-dimethanol, alpha,alpha'-bis(3-(diethylamino)propyl)-
CID 515406
1-Benzhydryl-4-(4-methoxyphenyl)piperidin-4-ol
CID 10384734
1-[4-[4-(3-Piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidin-4-ol
CID 56675822

Frequently Asked Questions

What is the IUPAC name of [3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methoxyphenyl)methanol?
The IUPAC name of [3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methoxyphenyl)methanol (CID 12805100) is [3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methoxyphenyl)methanol.
What is the SMILES notation for [3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methoxyphenyl)methanol?
The canonical SMILES for [3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methoxyphenyl)methanol is COc1ccc(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-methoxyphenyl)methanol?
The InChIKey is RBOWGYFZKLNGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41NO2/c1-22(21-30-18-7-6-13-27(30)19-23-9-4-3-5-10-23)25-11-8-12-26(20-25)29(31)24-14-16-28(32-2)17-15-24/h8,11-12,14-17,20,22-23,27,29,31H,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-methoxyphenyl)methanol?
[3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methoxyphenyl)methanol has a molecular weight of 435.65 g/mol, XLogP of 6.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[2-(cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methoxyphenyl)methanol is sourced from PubChem (CID 12805100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).