(1S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine

C17H27ClN2O2 — CID 97322156

IUPAC(1S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
SMILESCOc1cc(OC)c([C@H](C)NCC2CCN(C)CC2)cc1Cl
InChIInChI=1S/C17H27ClN2O2/c1-12(19-11-13-5-7-20(2)8-6-13)14-9-15(18)17(22-4)10-16(14)21-3/h9-10,12-13,19H,5-8,11H2,1-4H3/t12-/m0/s1
InChIKeyUHGAMXUTXSEKTH-LBPRGKRZSA-N
MW326.87 g/mol
LogP3.35
Rot. Bonds6

About (1S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine

(1S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine (PubChem CID 97322156) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is (1S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
PubChem CID97322156
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name(1S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
SMILESCOc1cc(OC)c([C@H](C)NCC2CCN(C)CC2)cc1Cl
InChIInChI=1S/C17H27ClN2O2/c1-12(19-11-13-5-7-20(2)8-6-13)14-9-15(18)17(22-4)10-16(14)21-3/h9-10,12-13,19H,5-8,11H2,1-4H3/t12-/m0/s1
InChIKeyUHGAMXUTXSEKTH-LBPRGKRZSA-N
XLogP3.35
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-2,4-dimethoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 75427891
(1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81397127
1-(5-chloro-2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 75382385
1-(4-fluoro-3-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 82993850
(1R)-1-(2-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81379999
1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 60855240
(1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81365320
5-chloro-2,4-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172466
(1R)-1-(furan-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81403301
N'-(3-chloro-4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886530
1-(2-methoxy-4-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54932279
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 115634960

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine (CID 97322156) is (1S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine is COc1cc(OC)c([C@H](C)NCC2CCN(C)CC2)cc1Cl.
What is the InChIKey of (1S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The InChIKey is UHGAMXUTXSEKTH-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H27ClN2O2/c1-12(19-11-13-5-7-20(2)8-6-13)14-9-15(18)17(22-4)10-16(14)21-3/h9-10,12-13,19H,5-8,11H2,1-4H3/t12-/m0/s1.
What are the key properties of (1S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
(1S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine has a molecular weight of 326.87 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 97322156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).