1-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]-N-methylmethanamine

C19H21Cl3N2 — CID 71176030

IUPAC1-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCC(c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H21Cl3N2/c1-23-11-13-2-9-19(17-8-5-15(21)10-18(17)22)24(12-13)16-6-3-14(20)4-7-16/h3-8,10,13,19,23H,2,9,11-12H2,1H3
InChIKeyOYJBYOKSWNARND-UHFFFAOYSA-N
MW383.75 g/mol
LogP5.82
Rot. Bonds4

About 1-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]-N-methylmethanamine

1-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]-N-methylmethanamine (PubChem CID 71176030) has the molecular formula C19H21Cl3N2 and a molecular weight of 383.75 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]-N-methylmethanamine
PubChem CID71176030
Molecular FormulaC19H21Cl3N2
Molecular Weight383.75 g/mol
Exact Mass382.08
IUPAC Name1-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCC(c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H21Cl3N2/c1-23-11-13-2-9-19(17-8-5-15(21)10-18(17)22)24(12-13)16-6-3-14(20)4-7-16/h3-8,10,13,19,23H,2,9,11-12H2,1H3
InChIKeyOYJBYOKSWNARND-UHFFFAOYSA-N
XLogP5.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.75
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]-N-propylsulfanylmethanamine
CID 143508395
1-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]-N-[(3,4-difluorophenyl)methyl]methanamine
CID 58957022
N-[[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]pyridin-4-amine
CID 58957089
1-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]-N-naphthalen-1-ylsulfanylmethanamine
CID 143508555
N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]ethanesulfonamide
CID 58957061
1-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]-2,4-dimethylpiperazine
CID 58956900
N-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]-4-isocyanobenzamide
CID 58956961
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(4-fluoro-3-methylphenoxy)methyl]piperidine
CID 143508323
N-[2-[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 58956980
1-[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethanone
CID 58956949
(6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidine-3-carboxylic acid
CID 58956898
(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 46230073

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]-N-methylmethanamine (CID 71176030) is 1-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]-N-methylmethanamine is CNCC1CCC(c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]-N-methylmethanamine?
The InChIKey is OYJBYOKSWNARND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl3N2/c1-23-11-13-2-9-19(17-8-5-15(21)10-18(17)22)24(12-13)16-6-3-14(20)4-7-16/h3-8,10,13,19,23H,2,9,11-12H2,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]-N-methylmethanamine?
1-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]-N-methylmethanamine has a molecular weight of 383.75 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 71176030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).