2-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)ethanol

C14H20ClNO — CID 115008578

IUPAC2-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)ethanol
SMILESCN1CCC(C(CO)c2ccccc2Cl)CC1
InChIInChI=1S/C14H20ClNO/c1-16-8-6-11(7-9-16)13(10-17)12-4-2-3-5-14(12)15/h2-5,11,13,17H,6-10H2,1H3
InChIKeyJPJSYLYPDLDZJE-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.76
Rot. Bonds3

About 2-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)ethanol

2-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)ethanol (PubChem CID 115008578) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)ethanol
PubChem CID115008578
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)ethanol
SMILESCN1CCC(C(CO)c2ccccc2Cl)CC1
InChIInChI=1S/C14H20ClNO/c1-16-8-6-11(7-9-16)13(10-17)12-4-2-3-5-14(12)15/h2-5,11,13,17H,6-10H2,1H3
InChIKeyJPJSYLYPDLDZJE-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-chlorophenyl)propyl]-4-methylpiperazine
CID 67966584
1-(2-chlorophenyl)-2-[(1-methylpiperidin-4-yl)amino]ethanol
CID 60910522
2-[hydroxy-(1-methylpiperidin-4-yl)methyl]phenol
CID 83855930
2-(2-chlorophenyl)-2-cyclobutylethanamine
CID 83688611
2-(1-cyclobutyl-2-hydroxyethyl)phenol
CID 115019132
2-(2-ethoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanamine
CID 83974398
3-(2-chlorophenyl)-3-cyclohexylpropanoic acid
CID 82092094
2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol
CID 111858860
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81376901
2-(4-bromothiophen-2-yl)-2-(1-methylpiperidin-4-yl)ethanol
CID 116825237
N-(2-chlorophenyl)-N,1-dimethylpiperidin-4-amine
CID 110454576
(2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 112680913

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)ethanol?
The IUPAC name of 2-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)ethanol (CID 115008578) is 2-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)ethanol.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)ethanol?
The canonical SMILES for 2-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)ethanol is CN1CCC(C(CO)c2ccccc2Cl)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)ethanol?
The InChIKey is JPJSYLYPDLDZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-16-8-6-11(7-9-16)13(10-17)12-4-2-3-5-14(12)15/h2-5,11,13,17H,6-10H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)ethanol?
2-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)ethanol has a molecular weight of 253.77 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)ethanol is sourced from PubChem (CID 115008578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).