4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol

C21H27NO2 — CID 138753340

IUPAC4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
SMILESC[C@@H](C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21?/m0/s1
InChIKeyUYNVMODNBIQBMV-BJQOMGFOSA-N
MW325.45 g/mol
LogP3.77
Rot. Bonds5

About 4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol

4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol (PubChem CID 138753340) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol.

Molecular Properties

Compound Name4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
PubChem CID138753340
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
SMILESC[C@@H](C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21?/m0/s1
InChIKeyUYNVMODNBIQBMV-BJQOMGFOSA-N
XLogP3.77
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
4-[2-[4-[(3-cyclohexylphenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]phenol
CID 71008556
4-[(1S)-4-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylbutyl]phenol
CID 56974173
(1R,2R)-1-[4-(8-aminooctylamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol
CID 45258577
5-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
CID 14678964
(1R,2R)-1-[4-(6-aminohexylamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol;trihydrochloride
CID 45258576
benzoic acid;4-[3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
CID 174298684
4-benzyl-1-propan-2-ylpiperidine
CID 22959492

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol?
The IUPAC name of 4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol (CID 138753340) is 4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol.
What is the SMILES notation for 4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol?
The canonical SMILES for 4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol is C[C@@H](C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol?
The InChIKey is UYNVMODNBIQBMV-BJQOMGFOSA-N. The full InChI is InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21?/m0/s1.
What are the key properties of 4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol?
4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol has a molecular weight of 325.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol is sourced from PubChem (CID 138753340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).