4-[2-[4-[(3-cyclohexylphenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]phenol

C27H37NO2 — CID 71008556

IUPAC4-[2-[4-[(3-cyclohexylphenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]phenol
SMILESCC(C(O)c1ccc(O)cc1)N1CCC(Cc2cccc(C3CCCCC3)c2)CC1
InChIInChI=1S/C27H37NO2/c1-20(27(30)24-10-12-26(29)13-11-24)28-16-14-21(15-17-28)18-22-6-5-9-25(19-22)23-7-3-2-4-8-23/h5-6,9-13,19-21,23,27,29-30H,2-4,7-8,14-18H2,1H3
InChIKeyCDSRUKXTHXQUEV-UHFFFAOYSA-N
MW407.60 g/mol
LogP5.82
Rot. Bonds6

About 4-[2-[4-[(3-cyclohexylphenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]phenol

4-[2-[4-[(3-cyclohexylphenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]phenol (PubChem CID 71008556) has the molecular formula C27H37NO2 and a molecular weight of 407.60 g/mol. Its IUPAC name is 4-[2-[4-[(3-cyclohexylphenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]phenol.

Molecular Properties

Compound Name4-[2-[4-[(3-cyclohexylphenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]phenol
PubChem CID71008556
Molecular FormulaC27H37NO2
Molecular Weight407.60 g/mol
Exact Mass407.28
IUPAC Name4-[2-[4-[(3-cyclohexylphenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]phenol
SMILESCC(C(O)c1ccc(O)cc1)N1CCC(Cc2cccc(C3CCCCC3)c2)CC1
InChIInChI=1S/C27H37NO2/c1-20(27(30)24-10-12-26(29)13-11-24)28-16-14-21(15-17-28)18-22-6-5-9-25(19-22)23-7-3-2-4-8-23/h5-6,9-13,19-21,23,27,29-30H,2-4,7-8,14-18H2,1H3
InChIKeyCDSRUKXTHXQUEV-UHFFFAOYSA-N
XLogP5.82
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.60
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-[4-[(3-cyclohexylphenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]phenol with MolForge

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Related Compounds

4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
CID 138753340
(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-bromophenyl)propan-1-ol
CID 45258690
4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol;2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one
CID 54736028
(1R,2R)-1-[4-(benzhydrylideneamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol
CID 45258806
4-[(1S,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
CID 6603988
4-[(1R,2R)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
CID 54452622
1-(4-chlorophenyl)-2-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-ol;hydrochloride
CID 140989276
4-[(1S)-4-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylbutyl]phenol
CID 56974173
5-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
CID 14678964
(1R,2R)-1-[4-(8-aminooctylamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol
CID 45258577
3-(3-cyclohexylphenyl)-2-methylpropanoic acid
CID 115006126
(1R,2R)-1-[4-(6-aminohexylamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol;trihydrochloride
CID 45258576

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(3-cyclohexylphenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]phenol?
The IUPAC name of 4-[2-[4-[(3-cyclohexylphenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]phenol (CID 71008556) is 4-[2-[4-[(3-cyclohexylphenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]phenol.
What is the SMILES notation for 4-[2-[4-[(3-cyclohexylphenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]phenol?
The canonical SMILES for 4-[2-[4-[(3-cyclohexylphenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]phenol is CC(C(O)c1ccc(O)cc1)N1CCC(Cc2cccc(C3CCCCC3)c2)CC1.
What is the InChIKey of 4-[2-[4-[(3-cyclohexylphenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]phenol?
The InChIKey is CDSRUKXTHXQUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NO2/c1-20(27(30)24-10-12-26(29)13-11-24)28-16-14-21(15-17-28)18-22-6-5-9-25(19-22)23-7-3-2-4-8-23/h5-6,9-13,19-21,23,27,29-30H,2-4,7-8,14-18H2,1H3.
What are the key properties of 4-[2-[4-[(3-cyclohexylphenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]phenol?
4-[2-[4-[(3-cyclohexylphenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]phenol has a molecular weight of 407.60 g/mol, XLogP of 5.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(3-cyclohexylphenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]phenol is sourced from PubChem (CID 71008556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).