1-(3-chlorophenyl)-1-phenyl-2-piperidin-1-ylethanol;hydrochloride

C19H23Cl2NO — CID 3062430

IUPAC1-(3-chlorophenyl)-1-phenyl-2-piperidin-1-ylethanol;hydrochloride
SMILESCl.OC(CN1CCCCC1)(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C19H22ClNO.ClH/c20-18-11-7-10-17(14-18)19(22,16-8-3-1-4-9-16)15-21-12-5-2-6-13-21;/h1,3-4,7-11,14,22H,2,5-6,12-13,15H2;1H
InChIKeyQGPGVEZWCAFPQB-UHFFFAOYSA-N
MW352.31 g/mol
LogP4.48
Rot. Bonds4

About 1-(3-chlorophenyl)-1-phenyl-2-piperidin-1-ylethanol;hydrochloride

1-(3-chlorophenyl)-1-phenyl-2-piperidin-1-ylethanol;hydrochloride (PubChem CID 3062430) has the molecular formula C19H23Cl2NO and a molecular weight of 352.31 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-phenyl-2-piperidin-1-ylethanol;hydrochloride.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-phenyl-2-piperidin-1-ylethanol;hydrochloride
PubChem CID3062430
Molecular FormulaC19H23Cl2NO
Molecular Weight352.31 g/mol
Exact Mass351.12
IUPAC Name1-(3-chlorophenyl)-1-phenyl-2-piperidin-1-ylethanol;hydrochloride
SMILESCl.OC(CN1CCCCC1)(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C19H22ClNO.ClH/c20-18-11-7-10-17(14-18)19(22,16-8-3-1-4-9-16)15-21-12-5-2-6-13-21;/h1,3-4,7-11,14,22H,2,5-6,12-13,15H2;1H
InChIKeyQGPGVEZWCAFPQB-UHFFFAOYSA-N
XLogP4.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Diphenidol Hydrochloride
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4-(4-Chlorophenyl)-alpha-(4-fluorophenyl)-4-hydroxy-1-piperidinebutanol
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Chlophedianol Hydrochloride
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3-Quinuclidinemethanol, alpha-(p-chlorophenyl)-alpha-phenyl-
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4-Phenyl-1-(3-phenylpropyl)piperidin-4-ol
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(+)-(S)-Eliprodil
CID 14622158
1-Piperidinepropanol, alpha,alpha-diphenyl-, hydrochloride (1:1)
CID 71595
Dihydrohaloperidol, (S)-
CID 16048564

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-phenyl-2-piperidin-1-ylethanol;hydrochloride?
The IUPAC name of 1-(3-chlorophenyl)-1-phenyl-2-piperidin-1-ylethanol;hydrochloride (CID 3062430) is 1-(3-chlorophenyl)-1-phenyl-2-piperidin-1-ylethanol;hydrochloride.
What is the SMILES notation for 1-(3-chlorophenyl)-1-phenyl-2-piperidin-1-ylethanol;hydrochloride?
The canonical SMILES for 1-(3-chlorophenyl)-1-phenyl-2-piperidin-1-ylethanol;hydrochloride is Cl.OC(CN1CCCCC1)(c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-1-phenyl-2-piperidin-1-ylethanol;hydrochloride?
The InChIKey is QGPGVEZWCAFPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO.ClH/c20-18-11-7-10-17(14-18)19(22,16-8-3-1-4-9-16)15-21-12-5-2-6-13-21;/h1,3-4,7-11,14,22H,2,5-6,12-13,15H2;1H.
What are the key properties of 1-(3-chlorophenyl)-1-phenyl-2-piperidin-1-ylethanol;hydrochloride?
1-(3-chlorophenyl)-1-phenyl-2-piperidin-1-ylethanol;hydrochloride has a molecular weight of 352.31 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-phenyl-2-piperidin-1-ylethanol;hydrochloride is sourced from PubChem (CID 3062430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).