1-(3-chlorophenyl)-2-piperidin-2-ylethanol

C13H18ClNO — CID 79559914

IUPAC1-(3-chlorophenyl)-2-piperidin-2-ylethanol
SMILESOC(CC1CCCCN1)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c14-11-5-3-4-10(8-11)13(16)9-12-6-1-2-7-15-12/h3-5,8,12-13,15-16H,1-2,6-7,9H2
InChIKeyXMBRWQOHPCNQOD-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.91
Rot. Bonds3

About 1-(3-chlorophenyl)-2-piperidin-2-ylethanol

1-(3-chlorophenyl)-2-piperidin-2-ylethanol (PubChem CID 79559914) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-piperidin-2-ylethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-piperidin-2-ylethanol
PubChem CID79559914
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-(3-chlorophenyl)-2-piperidin-2-ylethanol
SMILESOC(CC1CCCCN1)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c14-11-5-3-4-10(8-11)13(16)9-12-6-1-2-7-15-12/h3-5,8,12-13,15-16H,1-2,6-7,9H2
InChIKeyXMBRWQOHPCNQOD-UHFFFAOYSA-N
XLogP2.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-phenyl-2-[(2S)-piperidin-2-yl]ethanol
CID 10856632
2-(azepan-2-yl)-1-(3-fluorophenyl)ethanol
CID 79560091
2-(azocan-2-yl)-1-(4-chlorophenyl)ethanol
CID 114239649
(1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788131
(1R)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788130
2-[2-(3-chlorophenyl)-2-fluoroethyl]pyrrolidine
CID 105485071
1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559902
1-(3-bromophenyl)-2-pyrrolidin-2-ylethanol
CID 79560834
1-(3-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol
CID 116685542
1-(4-fluorophenyl)-2-piperidin-2-ylethanol
CID 79559666
2-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119514159
1-(3-chlorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106622440

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-piperidin-2-ylethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-piperidin-2-ylethanol (CID 79559914) is 1-(3-chlorophenyl)-2-piperidin-2-ylethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-piperidin-2-ylethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-piperidin-2-ylethanol is OC(CC1CCCCN1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-piperidin-2-ylethanol?
The InChIKey is XMBRWQOHPCNQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c14-11-5-3-4-10(8-11)13(16)9-12-6-1-2-7-15-12/h3-5,8,12-13,15-16H,1-2,6-7,9H2.
What are the key properties of 1-(3-chlorophenyl)-2-piperidin-2-ylethanol?
1-(3-chlorophenyl)-2-piperidin-2-ylethanol has a molecular weight of 239.75 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-piperidin-2-ylethanol is sourced from PubChem (CID 79559914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).