(4-amino-2-methylpiperidin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone

C13H17ClN2O2 — CID 113284360

IUPAC(4-amino-2-methylpiperidin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone
SMILESCC1CC(N)CCN1C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C13H17ClN2O2/c1-8-6-10(15)4-5-16(8)13(18)11-7-9(14)2-3-12(11)17/h2-3,7-8,10,17H,4-6,15H2,1H3
InChIKeyLIBVALABQBCRMA-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.00
Rot. Bonds1

About (4-amino-2-methylpiperidin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone

(4-amino-2-methylpiperidin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone (PubChem CID 113284360) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (4-amino-2-methylpiperidin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-amino-2-methylpiperidin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone
PubChem CID113284360
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(4-amino-2-methylpiperidin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone
SMILESCC1CC(N)CCN1C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C13H17ClN2O2/c1-8-6-10(15)4-5-16(8)13(18)11-7-9(14)2-3-12(11)17/h2-3,7-8,10,17H,4-6,15H2,1H3
InChIKeyLIBVALABQBCRMA-UHFFFAOYSA-N
XLogP2.00
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-2-methylpiperidin-1-yl)-(5-bromo-2-hydroxyphenyl)methanone
CID 104872612
[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 94339999
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-(2,4-dichloro-5-fluorophenyl)methanone
CID 124689802
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-dichloro-5-fluorophenyl)methanone
CID 124691606
(4-amino-2-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 103821494
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 103352393
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 124576206
(5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 18108514
(4-amino-2-methylpiperidin-1-yl)-(2-fluoro-5-nitrophenyl)methanone
CID 115312191
(2,4-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone
CID 103522096
(4-chloro-2-hydroxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 60975104
(4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43176497

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylpiperidin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone?
The IUPAC name of (4-amino-2-methylpiperidin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone (CID 113284360) is (4-amino-2-methylpiperidin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone.
What is the SMILES notation for (4-amino-2-methylpiperidin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone?
The canonical SMILES for (4-amino-2-methylpiperidin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone is CC1CC(N)CCN1C(=O)c1cc(Cl)ccc1O.
What is the InChIKey of (4-amino-2-methylpiperidin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone?
The InChIKey is LIBVALABQBCRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-8-6-10(15)4-5-16(8)13(18)11-7-9(14)2-3-12(11)17/h2-3,7-8,10,17H,4-6,15H2,1H3.
What are the key properties of (4-amino-2-methylpiperidin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone?
(4-amino-2-methylpiperidin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone has a molecular weight of 268.74 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylpiperidin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 113284360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).