4-[(2R,3R)-3-hydroxy-2-phenyl-1-piperidin-1-ylhex-5-en-3-yl]phenol

C23H29NO2 — CID 92701923

IUPAC4-[(2R,3R)-3-hydroxy-2-phenyl-1-piperidin-1-ylhex-5-en-3-yl]phenol
SMILESC=CC[C@](O)(c1ccc(O)cc1)[C@@H](CN1CCCCC1)c1ccccc1
InChIInChI=1S/C23H29NO2/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/h2-3,5-6,9-14,22,25-26H,1,4,7-8,15-18H2/t22-,23-/m0/s1
InChIKeyMNDXYWQRWWMDHB-GOTSBHOMSA-N
MW351.49 g/mol
LogP4.43
Rot. Bonds7

About 4-[(2R,3R)-3-hydroxy-2-phenyl-1-piperidin-1-ylhex-5-en-3-yl]phenol

4-[(2R,3R)-3-hydroxy-2-phenyl-1-piperidin-1-ylhex-5-en-3-yl]phenol (PubChem CID 92701923) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-[(2R,3R)-3-hydroxy-2-phenyl-1-piperidin-1-ylhex-5-en-3-yl]phenol.

Molecular Properties

Compound Name4-[(2R,3R)-3-hydroxy-2-phenyl-1-piperidin-1-ylhex-5-en-3-yl]phenol
PubChem CID92701923
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name4-[(2R,3R)-3-hydroxy-2-phenyl-1-piperidin-1-ylhex-5-en-3-yl]phenol
SMILESC=CC[C@](O)(c1ccc(O)cc1)[C@@H](CN1CCCCC1)c1ccccc1
InChIInChI=1S/C23H29NO2/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/h2-3,5-6,9-14,22,25-26H,1,4,7-8,15-18H2/t22-,23-/m0/s1
InChIKeyMNDXYWQRWWMDHB-GOTSBHOMSA-N
XLogP4.43
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(2S,3S)-3-hydroxy-2-phenyl-1-piperidin-1-ylhex-5-en-3-yl]phenol
CID 92701926
(2S,3S)-3-(4-methoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhex-5-en-3-ol
CID 92720780
4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol
CID 23607014
4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol;hydrochloride
CID 44782432
(2R,3R)-3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylhex-5-en-3-ol
CID 92701916
2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 23607019
(2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 29184942
(2S,3S)-1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenylhexan-3-ol
CID 40643748
(2R,3S)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 92716985
(2R,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 40643792
3-(4-methoxyphenyl)-6-methyl-2-phenyl-1-piperidin-1-ylheptan-3-ol;hydrochloride
CID 146052045
(2R,3S)-1-(azepan-1-yl)-3-(4-ethoxyphenyl)-6-methyl-2-phenylheptan-3-ol
CID 40643762

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3R)-3-hydroxy-2-phenyl-1-piperidin-1-ylhex-5-en-3-yl]phenol?
The IUPAC name of 4-[(2R,3R)-3-hydroxy-2-phenyl-1-piperidin-1-ylhex-5-en-3-yl]phenol (CID 92701923) is 4-[(2R,3R)-3-hydroxy-2-phenyl-1-piperidin-1-ylhex-5-en-3-yl]phenol.
What is the SMILES notation for 4-[(2R,3R)-3-hydroxy-2-phenyl-1-piperidin-1-ylhex-5-en-3-yl]phenol?
The canonical SMILES for 4-[(2R,3R)-3-hydroxy-2-phenyl-1-piperidin-1-ylhex-5-en-3-yl]phenol is C=CC[C@](O)(c1ccc(O)cc1)[C@@H](CN1CCCCC1)c1ccccc1.
What is the InChIKey of 4-[(2R,3R)-3-hydroxy-2-phenyl-1-piperidin-1-ylhex-5-en-3-yl]phenol?
The InChIKey is MNDXYWQRWWMDHB-GOTSBHOMSA-N. The full InChI is InChI=1S/C23H29NO2/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/h2-3,5-6,9-14,22,25-26H,1,4,7-8,15-18H2/t22-,23-/m0/s1.
What are the key properties of 4-[(2R,3R)-3-hydroxy-2-phenyl-1-piperidin-1-ylhex-5-en-3-yl]phenol?
4-[(2R,3R)-3-hydroxy-2-phenyl-1-piperidin-1-ylhex-5-en-3-yl]phenol has a molecular weight of 351.49 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3R)-3-hydroxy-2-phenyl-1-piperidin-1-ylhex-5-en-3-yl]phenol is sourced from PubChem (CID 92701923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).