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

C13H17ClN2O2 — CID 112576079

IUPAC(3-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cccc(N)c2Cl)CC1
InChIInChI=1S/C13H17ClN2O2/c1-13(18)5-7-16(8-6-13)12(17)9-3-2-4-10(15)11(9)14/h2-4,18H,5-8,15H2,1H3
InChIKeyFIXMVCMBEKXJDR-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.91
Rot. Bonds1

About (3-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

(3-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 112576079) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (3-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID112576079
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(3-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cccc(N)c2Cl)CC1
InChIInChI=1S/C13H17ClN2O2/c1-13(18)5-7-16(8-6-13)12(17)9-3-2-4-10(15)11(9)14/h2-4,18H,5-8,15H2,1H3
InChIKeyFIXMVCMBEKXJDR-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

(3-amino-2-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210554
(3-amino-2-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 115930537
(3-amino-2-nitrophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 115549321
(3-amino-2-chlorophenyl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 112576059
4-(3-amino-2-chlorobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 115930358
(5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096342
(3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 82828823
(2-chlorophenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406239
(2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62937023
(3-amino-2-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 115930393
4-(3-amino-2-chlorobenzoyl)-1,3,3-trimethylpiperazin-2-one
CID 115930608
4-(3-amino-2-chlorobenzoyl)piperazine-2,6-dione
CID 112576024

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (CID 112576079) is (3-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is CC1(O)CCN(C(=O)c2cccc(N)c2Cl)CC1.
What is the InChIKey of (3-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is FIXMVCMBEKXJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-13(18)5-7-16(8-6-13)12(17)9-3-2-4-10(15)11(9)14/h2-4,18H,5-8,15H2,1H3.
What are the key properties of (3-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
(3-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 (3-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 112576079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).