1-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-(2-phenylethyl)piperidin-4-ol

C22H28ClNO2 — CID 54296941

IUPAC1-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-(2-phenylethyl)piperidin-4-ol
SMILESCC(C(O)c1ccc(Cl)cc1)N1CCC(O)(CCc2ccccc2)CC1
InChIInChI=1S/C22H28ClNO2/c1-17(21(25)19-7-9-20(23)10-8-19)24-15-13-22(26,14-16-24)12-11-18-5-3-2-4-6-18/h2-10,17,21,25-26H,11-16H2,1H3
InChIKeySBLAAEDBXGLPND-UHFFFAOYSA-N
MW373.92 g/mol
LogP4.22
Rot. Bonds6

About 1-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-(2-phenylethyl)piperidin-4-ol

1-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-(2-phenylethyl)piperidin-4-ol (PubChem CID 54296941) has the molecular formula C22H28ClNO2 and a molecular weight of 373.92 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-(2-phenylethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-(2-phenylethyl)piperidin-4-ol
PubChem CID54296941
Molecular FormulaC22H28ClNO2
Molecular Weight373.92 g/mol
Exact Mass373.18
IUPAC Name1-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-(2-phenylethyl)piperidin-4-ol
SMILESCC(C(O)c1ccc(Cl)cc1)N1CCC(O)(CCc2ccccc2)CC1
InChIInChI=1S/C22H28ClNO2/c1-17(21(25)19-7-9-20(23)10-8-19)24-15-13-22(26,14-16-24)12-11-18-5-3-2-4-6-18/h2-10,17,21,25-26H,11-16H2,1H3
InChIKeySBLAAEDBXGLPND-UHFFFAOYSA-N
XLogP4.22
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.92
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(2-phenylethyl)piperidin-4-ol
CID 10751359
1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
(1S,2S)-1-(4-chlorophenyl)-2-morpholin-4-ylpropan-1-ol
CID 177420176
4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride
CID 10135239
1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-phenylpyrrolidin-3-ol
CID 70057699
(1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
CID 11830572
1-[2-(4-chlorophenyl)ethyl]cyclopentan-1-ol
CID 18398262
1-[1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol
CID 21186599
2-(4-chlorophenyl)-2-[(3R)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid
CID 142021302
1-[4-[1-(4-chlorophenyl)-2-phenylethyl]piperazin-1-yl]ethanol
CID 174310926
1-(4-chlorophenyl)-2-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-ol;hydrochloride
CID 140989276
4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
CID 138753340

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-(2-phenylethyl)piperidin-4-ol?
The IUPAC name of 1-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-(2-phenylethyl)piperidin-4-ol (CID 54296941) is 1-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-(2-phenylethyl)piperidin-4-ol.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-(2-phenylethyl)piperidin-4-ol?
The canonical SMILES for 1-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-(2-phenylethyl)piperidin-4-ol is CC(C(O)c1ccc(Cl)cc1)N1CCC(O)(CCc2ccccc2)CC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-(2-phenylethyl)piperidin-4-ol?
The InChIKey is SBLAAEDBXGLPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClNO2/c1-17(21(25)19-7-9-20(23)10-8-19)24-15-13-22(26,14-16-24)12-11-18-5-3-2-4-6-18/h2-10,17,21,25-26H,11-16H2,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-(2-phenylethyl)piperidin-4-ol?
1-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-(2-phenylethyl)piperidin-4-ol has a molecular weight of 373.92 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-(2-phenylethyl)piperidin-4-ol is sourced from PubChem (CID 54296941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).