(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone

C14H18Cl2N2O — CID 120817946

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(Cl)cc2Cl)CCC1N
InChIInChI=1S/C14H18Cl2N2O/c1-14(2)8-18(6-5-12(14)17)13(19)10-4-3-9(15)7-11(10)16/h3-4,7,12H,5-6,8,17H2,1-2H3
InChIKeyWNGBLXVIEURVJK-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.19
Rot. Bonds1

About (4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone (PubChem CID 120817946) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone
PubChem CID120817946
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(Cl)cc2Cl)CCC1N
InChIInChI=1S/C14H18Cl2N2O/c1-14(2)8-18(6-5-12(14)17)13(19)10-4-3-9(15)7-11(10)16/h3-4,7,12H,5-6,8,17H2,1-2H3
InChIKeyWNGBLXVIEURVJK-UHFFFAOYSA-N
XLogP3.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-(2-chloro-4-fluorophenyl)methanone
CID 120820405
(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
CID 119376590
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115276648
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-cyclopentyloxyphenyl)methanone;hydrochloride
CID 120814057
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,4-dichlorophenyl)ethanone
CID 120818845
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-difluorophenyl)methanone
CID 115276649
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride
CID 120814221
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-chloro-3-fluorophenyl)methanone
CID 120814331
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dichlorophenyl)methanone;hydrochloride
CID 120816240
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone;dihydrochloride
CID 120818027
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-pyridinyl)methanone
CID 120818056
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(2,4-dichlorophenyl)propan-1-one;hydrochloride
CID 120817658

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone (CID 120817946) is (4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone is CC1(C)CN(C(=O)c2ccc(Cl)cc2Cl)CCC1N.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone?
The InChIKey is WNGBLXVIEURVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-14(2)8-18(6-5-12(14)17)13(19)10-4-3-9(15)7-11(10)16/h3-4,7,12H,5-6,8,17H2,1-2H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone has a molecular weight of 301.22 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 120817946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).