(5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

C13H17ClN2O2 — CID 81096342

IUPAC(5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cc(N)ccc2Cl)CC1
InChIInChI=1S/C13H17ClN2O2/c1-13(18)4-6-16(7-5-13)12(17)10-8-9(15)2-3-11(10)14/h2-3,8,18H,4-7,15H2,1H3
InChIKeyGDQCWJSADKJNPT-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.91
Rot. Bonds1

About (5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

(5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 81096342) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID81096342
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cc(N)ccc2Cl)CC1
InChIInChI=1S/C13H17ClN2O2/c1-13(18)4-6-16(7-5-13)12(17)10-8-9(15)2-3-11(10)14/h2-3,8,18H,4-7,15H2,1H3
InChIKeyGDQCWJSADKJNPT-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-amino-2-chlorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 142611641
(5-amino-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43584913
(5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16783879
(5-amino-2-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355036
(5-amino-2-chlorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43581076
(3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80707064
(5-amino-2-chlorophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107210632
(3-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 112576079
(5-amino-2-chlorophenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 107210819
(4-chloro-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81232947
(3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81095901
(5-amino-2-chlorophenyl)-(4-propylpiperazin-1-yl)methanone
CID 16789612

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (CID 81096342) is (5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is CC1(O)CCN(C(=O)c2cc(N)ccc2Cl)CC1.
What is the InChIKey of (5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is GDQCWJSADKJNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-13(18)4-6-16(7-5-13)12(17)10-8-9(15)2-3-11(10)14/h2-3,8,18H,4-7,15H2,1H3.
What are the key properties of (5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
(5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 268.74 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 81096342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).