(3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone

C14H19ClN2O — CID 115269961

IUPAC(3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone
SMILESCC1(C)CCN(C(=O)c2cccc(Cl)c2)CC1N
InChIInChI=1S/C14H19ClN2O/c1-14(2)6-7-17(9-12(14)16)13(18)10-4-3-5-11(15)8-10/h3-5,8,12H,6-7,9,16H2,1-2H3
InChIKeyVKJVZKMQUJYOIM-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.54
Rot. Bonds1

About (3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone

(3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone (PubChem CID 115269961) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone
PubChem CID115269961
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone
SMILESCC1(C)CCN(C(=O)c2cccc(Cl)c2)CC1N
InChIInChI=1S/C14H19ClN2O/c1-14(2)6-7-17(9-12(14)16)13(18)10-4-3-5-11(15)8-10/h3-5,8,12H,6-7,9,16H2,1-2H3
InChIKeyVKJVZKMQUJYOIM-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-amino-4,4-dimethylpiperidin-1-yl)-(4-bromophenyl)methanone
CID 115269950
[(3S,4S)-3-(4-chlorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-(3-chlorophenyl)methanone
CID 110154817
1-(3-chlorobenzoyl)-3-ethylpiperidin-4-one
CID 114508192
(3-amino-4,4-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115276861
(3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 63106751
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 119703799
1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid
CID 63124878
(3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746304
1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433186
(3-chlorophenyl)-[(5S,9R)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 124915399
[(1S,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-(3-chlorophenyl)methanone
CID 98815728
azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
CID 662429

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone?
The IUPAC name of (3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone (CID 115269961) is (3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone.
What is the SMILES notation for (3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone?
The canonical SMILES for (3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone is CC1(C)CCN(C(=O)c2cccc(Cl)c2)CC1N.
What is the InChIKey of (3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone?
The InChIKey is VKJVZKMQUJYOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-14(2)6-7-17(9-12(14)16)13(18)10-4-3-5-11(15)8-10/h3-5,8,12H,6-7,9,16H2,1-2H3.
What are the key properties of (3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone?
(3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone has a molecular weight of 266.77 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone is sourced from PubChem (CID 115269961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).