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

C23H31NO2 — CID 56974173

IUPAC4-[(1S)-4-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylbutyl]phenol
SMILESCC(CCN1CCC(Cc2ccccc2)CC1)[C@H](O)c1ccc(O)cc1
InChIInChI=1S/C23H31NO2/c1-18(23(26)21-7-9-22(25)10-8-21)11-14-24-15-12-20(13-16-24)17-19-5-3-2-4-6-19/h2-10,18,20,23,25-26H,11-17H2,1H3/t18?,23-/m0/s1
InChIKeyUPKSTPOFKPHFPZ-IMMUGOHXSA-N
MW353.51 g/mol
LogP4.41
Rot. Bonds7

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

4-[(1S)-4-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylbutyl]phenol (PubChem CID 56974173) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 4-[(1S)-4-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylbutyl]phenol.

Molecular Properties

Compound Name4-[(1S)-4-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylbutyl]phenol
PubChem CID56974173
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name4-[(1S)-4-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylbutyl]phenol
SMILESCC(CCN1CCC(Cc2ccccc2)CC1)[C@H](O)c1ccc(O)cc1
InChIInChI=1S/C23H31NO2/c1-18(23(26)21-7-9-22(25)10-8-21)11-14-24-15-12-20(13-16-24)17-19-5-3-2-4-6-19/h2-10,18,20,23,25-26H,11-17H2,1H3/t18?,23-/m0/s1
InChIKeyUPKSTPOFKPHFPZ-IMMUGOHXSA-N
XLogP4.41
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
benzoic acid;4-[3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
CID 174298684
4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
CID 138753340
4-benzyl-1-(3-methylbutyl)piperidine
CID 59512021
1-(4-aminophenyl)-3-(4-benzylpiperidin-1-yl)propan-1-ol
CID 82070868
4-benzyl-1-(4-methylpentyl)piperidine
CID 155778719
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-bromophenyl)propan-1-ol
CID 45258690
4-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-2-ol
CID 66455203
N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-2-amine
CID 53211384
4-[(1S)-1-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
CID 90803091

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-4-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylbutyl]phenol?
The IUPAC name of 4-[(1S)-4-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylbutyl]phenol (CID 56974173) is 4-[(1S)-4-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylbutyl]phenol.
What is the SMILES notation for 4-[(1S)-4-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylbutyl]phenol?
The canonical SMILES for 4-[(1S)-4-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylbutyl]phenol is CC(CCN1CCC(Cc2ccccc2)CC1)[C@H](O)c1ccc(O)cc1.
What is the InChIKey of 4-[(1S)-4-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylbutyl]phenol?
The InChIKey is UPKSTPOFKPHFPZ-IMMUGOHXSA-N. The full InChI is InChI=1S/C23H31NO2/c1-18(23(26)21-7-9-22(25)10-8-21)11-14-24-15-12-20(13-16-24)17-19-5-3-2-4-6-19/h2-10,18,20,23,25-26H,11-17H2,1H3/t18?,23-/m0/s1.
What are the key properties of 4-[(1S)-4-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylbutyl]phenol?
4-[(1S)-4-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylbutyl]phenol has a molecular weight of 353.51 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-4-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylbutyl]phenol is sourced from PubChem (CID 56974173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).