(2-amino-6-chlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone

C14H19ClN2O — CID 63658810

IUPAC(2-amino-6-chlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)c2c(N)cccc2Cl)CC1
InChIInChI=1S/C14H19ClN2O/c1-14(2)6-8-17(9-7-14)13(18)12-10(15)4-3-5-11(12)16/h3-5H,6-9,16H2,1-2H3
InChIKeyCNDQMOHQYJUMPU-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.18
Rot. Bonds1

About (2-amino-6-chlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone

(2-amino-6-chlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone (PubChem CID 63658810) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (2-amino-6-chlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-chlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
PubChem CID63658810
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(2-amino-6-chlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)c2c(N)cccc2Cl)CC1
InChIInChI=1S/C14H19ClN2O/c1-14(2)6-8-17(9-7-14)13(18)12-10(15)4-3-5-11(12)16/h3-5H,6-9,16H2,1-2H3
InChIKeyCNDQMOHQYJUMPU-UHFFFAOYSA-N
XLogP3.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.18
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

(2-amino-6-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504969
1-(2-amino-6-chlorobenzoyl)piperidine-4-carboxamide
CID 63660702
(2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62937023
4-(2-amino-6-chlorobenzoyl)piperazine-2,6-dione
CID 66083078
(2-amino-6-chlorophenyl)-(1,4-thiazepan-4-yl)methanone
CID 63660206
(2-amino-6-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81420206
1-(2,6-dichlorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162411
(3-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 112576079
(2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 139023381
(2-amino-6-chlorophenyl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 63658829
(2-amino-6-chlorophenyl)-[4-methyl-4-[(3S)-3-methyl-4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 10481752
(4-amino-3,5-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 82833580

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-chlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-6-chlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone (CID 63658810) is (2-amino-6-chlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-6-chlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-6-chlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone is CC1(C)CCN(C(=O)c2c(N)cccc2Cl)CC1.
What is the InChIKey of (2-amino-6-chlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is CNDQMOHQYJUMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-14(2)6-8-17(9-7-14)13(18)12-10(15)4-3-5-11(12)16/h3-5H,6-9,16H2,1-2H3.
What are the key properties of (2-amino-6-chlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
(2-amino-6-chlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 266.77 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-chlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 63658810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).