4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol

C23H31NO2 — CID 23607014

IUPAC4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol
SMILESCCCC(O)(c1ccc(O)cc1)C(CN1CCCCC1)c1ccccc1
InChIInChI=1S/C23H31NO2/c1-2-15-23(26,20-11-13-21(25)14-12-20)22(19-9-5-3-6-10-19)18-24-16-7-4-8-17-24/h3,5-6,9-14,22,25-26H,2,4,7-8,15-18H2,1H3
InChIKeyPHQMTFDPHUMHIK-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.65
Rot. Bonds7

About 4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol

4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol (PubChem CID 23607014) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol.

Molecular Properties

Compound Name4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol
PubChem CID23607014
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol
SMILESCCCC(O)(c1ccc(O)cc1)C(CN1CCCCC1)c1ccccc1
InChIInChI=1S/C23H31NO2/c1-2-15-23(26,20-11-13-21(25)14-12-20)22(19-9-5-3-6-10-19)18-24-16-7-4-8-17-24/h3,5-6,9-14,22,25-26H,2,4,7-8,15-18H2,1H3
InChIKeyPHQMTFDPHUMHIK-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol;hydrochloride
CID 44782432
(2S,3S)-1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenylhexan-3-ol
CID 40643748
(2R,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 40643792
4-[(2R,3R)-3-hydroxy-2-phenyl-1-piperidin-1-ylhex-5-en-3-yl]phenol
CID 92701923
4-[(2S,3S)-3-hydroxy-2-phenyl-1-piperidin-1-ylhex-5-en-3-yl]phenol
CID 92701926
2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 23607019
(2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 29184942
(2R,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
CID 28949473
(2R,3S)-1-(azepan-1-yl)-3-(4-ethoxyphenyl)-6-methyl-2-phenylheptan-3-ol
CID 40643762
(2R,3R)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-yldecan-3-ol
CID 98213589
3-(4-methoxyphenyl)-6-methyl-2-phenyl-1-piperidin-1-ylheptan-3-ol;hydrochloride
CID 146052045
(2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
CID 92697716

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol?
The IUPAC name of 4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol (CID 23607014) is 4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol.
What is the SMILES notation for 4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol?
The canonical SMILES for 4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol is CCCC(O)(c1ccc(O)cc1)C(CN1CCCCC1)c1ccccc1.
What is the InChIKey of 4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol?
The InChIKey is PHQMTFDPHUMHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-2-15-23(26,20-11-13-21(25)14-12-20)22(19-9-5-3-6-10-19)18-24-16-7-4-8-17-24/h3,5-6,9-14,22,25-26H,2,4,7-8,15-18H2,1H3.
What are the key properties of 4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol?
4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol has a molecular weight of 353.51 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol is sourced from PubChem (CID 23607014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).