1-(3-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)butan-2-amine

C17H27ClN2 — CID 62330118

IUPAC1-(3-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)butan-2-amine
SMILESCCC(N)C(c1cccc(Cl)c1)N1CCC(C)CC1C
InChIInChI=1S/C17H27ClN2/c1-4-16(19)17(14-6-5-7-15(18)11-14)20-9-8-12(2)10-13(20)3/h5-7,11-13,16-17H,4,8-10,19H2,1-3H3
InChIKeyGTYQRZVKWCSKQH-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.24
Rot. Bonds4

About 1-(3-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)butan-2-amine

1-(3-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)butan-2-amine (PubChem CID 62330118) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)butan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)butan-2-amine
PubChem CID62330118
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-(3-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)butan-2-amine
SMILESCCC(N)C(c1cccc(Cl)c1)N1CCC(C)CC1C
InChIInChI=1S/C17H27ClN2/c1-4-16(19)17(14-6-5-7-15(18)11-14)20-9-8-12(2)10-13(20)3/h5-7,11-13,16-17H,4,8-10,19H2,1-3H3
InChIKeyGTYQRZVKWCSKQH-UHFFFAOYSA-N
XLogP4.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(3-chlorophenyl)butan-2-amine
CID 65319355
3-[1-[2-amino-1-(3-chlorophenyl)butyl]pyrrolidin-2-yl]propan-1-ol
CID 62469479
1-(3-chlorophenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine
CID 66393212
1-(4-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)propan-2-amine
CID 62330116
[1-[2-amino-1-(3-chlorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777829
1-(3-chlorophenyl)-1-N-methyl-1-N-(3-methylcyclohexyl)butane-1,2-diamine
CID 63404072
1-(3-chlorophenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine
CID 62987402
1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
CID 55019889
1-(3-chlorophenyl)-1-(2-ethylpiperidin-1-yl)propan-2-amine
CID 55019306
1-(3-bromophenyl)-1-(3-methylmorpholin-4-yl)butan-2-amine
CID 55019336
(2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489474
2-(2,4-dichlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine
CID 62332287

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)butan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)butan-2-amine (CID 62330118) is 1-(3-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)butan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)butan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)butan-2-amine is CCC(N)C(c1cccc(Cl)c1)N1CCC(C)CC1C.
What is the InChIKey of 1-(3-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)butan-2-amine?
The InChIKey is GTYQRZVKWCSKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-4-16(19)17(14-6-5-7-15(18)11-14)20-9-8-12(2)10-13(20)3/h5-7,11-13,16-17H,4,8-10,19H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)butan-2-amine?
1-(3-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)butan-2-amine has a molecular weight of 294.87 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)butan-2-amine is sourced from PubChem (CID 62330118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).