[1-(2-chlorophenyl)-4-(methylamino)piperidin-4-yl]methanol

C13H19ClN2O — CID 117012056

IUPAC[1-(2-chlorophenyl)-4-(methylamino)piperidin-4-yl]methanol
SMILESCNC1(CO)CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C13H19ClN2O/c1-15-13(10-17)6-8-16(9-7-13)12-5-3-2-4-11(12)14/h2-5,15,17H,6-10H2,1H3
InChIKeyFQZDFGXLOSXNIS-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.89
Rot. Bonds3

About [1-(2-chlorophenyl)-4-(methylamino)piperidin-4-yl]methanol

[1-(2-chlorophenyl)-4-(methylamino)piperidin-4-yl]methanol (PubChem CID 117012056) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-4-(methylamino)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-4-(methylamino)piperidin-4-yl]methanol
PubChem CID117012056
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name[1-(2-chlorophenyl)-4-(methylamino)piperidin-4-yl]methanol
SMILESCNC1(CO)CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C13H19ClN2O/c1-15-13(10-17)6-8-16(9-7-13)12-5-3-2-4-11(12)14/h2-5,15,17H,6-10H2,1H3
InChIKeyFQZDFGXLOSXNIS-UHFFFAOYSA-N
XLogP1.89
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,5-dimethylphenyl)-4-(methylamino)piperidin-4-yl]methanol
CID 117012043
[1-(2-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol
CID 117012684
2-[4-(methylamino)-1-phenylpiperidin-4-yl]acetic acid
CID 106821085
[1-(3-bromo-4-methylphenyl)-4-(methylamino)piperidin-4-yl]methanol
CID 117012064
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 18545117
[1-(4-ethoxyphenyl)-3-(methylamino)pyrrolidin-3-yl]methanol
CID 117012337
[1-(3-fluorophenyl)-3-(methylamino)pyrrolidin-3-yl]methanol
CID 117012349
2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-ethylbutan-1-ol
CID 62271269
3-(aminomethyl)-1-(2-chlorophenyl)pyrrolidin-3-ol
CID 115035884
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683
(1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol
CID 2101809
3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 117011902

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-4-(methylamino)piperidin-4-yl]methanol?
The IUPAC name of [1-(2-chlorophenyl)-4-(methylamino)piperidin-4-yl]methanol (CID 117012056) is [1-(2-chlorophenyl)-4-(methylamino)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(2-chlorophenyl)-4-(methylamino)piperidin-4-yl]methanol?
The canonical SMILES for [1-(2-chlorophenyl)-4-(methylamino)piperidin-4-yl]methanol is CNC1(CO)CCN(c2ccccc2Cl)CC1.
What is the InChIKey of [1-(2-chlorophenyl)-4-(methylamino)piperidin-4-yl]methanol?
The InChIKey is FQZDFGXLOSXNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-15-13(10-17)6-8-16(9-7-13)12-5-3-2-4-11(12)14/h2-5,15,17H,6-10H2,1H3.
What are the key properties of [1-(2-chlorophenyl)-4-(methylamino)piperidin-4-yl]methanol?
[1-(2-chlorophenyl)-4-(methylamino)piperidin-4-yl]methanol has a molecular weight of 254.76 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-4-(methylamino)piperidin-4-yl]methanol is sourced from PubChem (CID 117012056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).