(2-amino-6-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone

C15H21ClN2O — CID 103504969

IUPAC(2-amino-6-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2c(N)cccc2Cl)CC1
InChIInChI=1S/C15H21ClN2O/c1-10(2)11-6-8-18(9-7-11)15(19)14-12(16)4-3-5-13(14)17/h3-5,10-11H,6-9,17H2,1-2H3
InChIKeyWFQFXPZOYMQYRD-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.43
Rot. Bonds2

About (2-amino-6-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone

(2-amino-6-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 103504969) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is (2-amino-6-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID103504969
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name(2-amino-6-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2c(N)cccc2Cl)CC1
InChIInChI=1S/C15H21ClN2O/c1-10(2)11-6-8-18(9-7-11)15(19)14-12(16)4-3-5-13(14)17/h3-5,10-11H,6-9,17H2,1-2H3
InChIKeyWFQFXPZOYMQYRD-UHFFFAOYSA-N
XLogP3.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-6-chlorobenzoyl)piperidine-4-carboxamide
CID 63660702
(2-amino-6-chlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 63658810
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
(2-amino-6-methylphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835108
(2-amino-6-chlorophenyl)-(1,4-thiazepan-4-yl)methanone
CID 63660206
(2-amino-6-chlorophenyl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 63658829
4-(2-amino-6-chlorobenzoyl)piperazine-2,6-dione
CID 66083078
(2-amino-6-methylphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 61116229
(4-amino-3-bromophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495489
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108567332
(3-amino-2-bromophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 113416735
(2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504947

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-6-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone (CID 103504969) is (2-amino-6-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-6-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-6-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCN(C(=O)c2c(N)cccc2Cl)CC1.
What is the InChIKey of (2-amino-6-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is WFQFXPZOYMQYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-10(2)11-6-8-18(9-7-11)15(19)14-12(16)4-3-5-13(14)17/h3-5,10-11H,6-9,17H2,1-2H3.
What are the key properties of (2-amino-6-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
(2-amino-6-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 280.80 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 103504969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).