1-[(1S,2S)-1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol

C20H24ClNO2 — CID 10020476

IUPAC1-[(1S,2S)-1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol
SMILESC[C@@H]([C@@H](O)c1ccc(Cl)cc1)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C20H24ClNO2/c1-15(19(23)16-7-9-18(21)10-8-16)22-13-11-20(24,12-14-22)17-5-3-2-4-6-17/h2-10,15,19,23-24H,11-14H2,1H3/t15-,19+/m0/s1
InChIKeyLRFSGVXACTZKQI-HNAYVOBHSA-N
MW345.87 g/mol
LogP3.75
Rot. Bonds4

About 1-[(1S,2S)-1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol

1-[(1S,2S)-1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol (PubChem CID 10020476) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 1-[(1S,2S)-1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(1S,2S)-1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol
PubChem CID10020476
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name1-[(1S,2S)-1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol
SMILESC[C@@H]([C@@H](O)c1ccc(Cl)cc1)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C20H24ClNO2/c1-15(19(23)16-7-9-18(21)10-8-16)22-13-11-20(24,12-14-22)17-5-3-2-4-6-17/h2-10,15,19,23-24H,11-14H2,1H3/t15-,19+/m0/s1
InChIKeyLRFSGVXACTZKQI-HNAYVOBHSA-N
XLogP3.75
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Eliprodil
CID 60703
4-(4-Chlorophenyl)-alpha-(4-fluorophenyl)-4-hydroxy-1-piperidinebutanol
CID 119265
Lobelanidine
CID 442646
2,6-Piperidinediethanol, 1-methyl-alpha2,alpha6-diphenyl-, hydrochloride (1:1), (alpha2R,alpha6S,2R,6S)-rel-
CID 6419945
8R-hydroxylobelane
CID 10782198
10S-hydroxylobelane
CID 10782199
(+)-(S)-Eliprodil
CID 14622158
Dihydrohaloperidol, (S)-
CID 16048564
alpha-[(Butylamino)methyl]-4-chloro-alpha-(4-chlorophenyl)benzenemethanol
CID 3257554
2-(Sec-butylamino)-1,1-bis(4-chlorophenyl)-1-ethanol
CID 3808173
1-Benzhydryl-4-(4-chlorophenyl)piperidin-4-ol
CID 10091033
10R-hydroxylobelane
CID 44416453

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol?
The IUPAC name of 1-[(1S,2S)-1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol (CID 10020476) is 1-[(1S,2S)-1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-[(1S,2S)-1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-[(1S,2S)-1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol is C[C@@H]([C@@H](O)c1ccc(Cl)cc1)N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 1-[(1S,2S)-1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol?
The InChIKey is LRFSGVXACTZKQI-HNAYVOBHSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-15(19(23)16-7-9-18(21)10-8-16)22-13-11-20(24,12-14-22)17-5-3-2-4-6-17/h2-10,15,19,23-24H,11-14H2,1H3/t15-,19+/m0/s1.
What are the key properties of 1-[(1S,2S)-1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol?
1-[(1S,2S)-1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol has a molecular weight of 345.87 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol is sourced from PubChem (CID 10020476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).