1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine

C15H22Cl2N2 — CID 103991987

IUPAC1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
SMILESCN1CCC(C)(CNCc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C15H22Cl2N2/c1-15(3-5-19(2)6-4-15)11-18-10-12-7-13(16)9-14(17)8-12/h7-9,18H,3-6,10-11H2,1-2H3
InChIKeyLWUPUNYDCOIXPB-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.81
Rot. Bonds4

About 1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine

1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine (PubChem CID 103991987) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
PubChem CID103991987
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC Name1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
SMILESCN1CCC(C)(CNCc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C15H22Cl2N2/c1-15(3-5-19(2)6-4-15)11-18-10-12-7-13(16)9-14(17)8-12/h7-9,18H,3-6,10-11H2,1-2H3
InChIKeyLWUPUNYDCOIXPB-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzenemethanamine, 3-chloro-N-methyl-
CID 122721
1-(3-Chlorobenzyl)piperazine
CID 764727
Benzenemethanamine, 2,6-dichloro-N-methyl-
CID 485433
Piperazine, 1-[(4-chlorophenyl)methyl]-, hydrochloride (1:1)
CID 20437422
N-(3-Chlorobenzyl)ethanamine
CID 457583
1-((2-Chlorophenyl)methyl)piperazine
CID 580769
N~1~,N~2~-bis(3-chlorobenzyl)-1,2-ethanediamine
CID 4356156
1-(2-Chloro-benzyl)-piperazine hydrochloride
CID 16809325
Benzenemethanamine, 3,5-dichloro-N-methyl-, hydrochloride
CID 174805
4-Chlorobenzylpiperazine
CID 134826
((3-Chlorophenyl)methyl)(methyl)amine hydrochloride
CID 12755946
[(1S,5R)-3-[(3-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
CID 97377580

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine (CID 103991987) is 1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine is CN1CCC(C)(CNCc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine?
The InChIKey is LWUPUNYDCOIXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-15(3-5-19(2)6-4-15)11-18-10-12-7-13(16)9-14(17)8-12/h7-9,18H,3-6,10-11H2,1-2H3.
What are the key properties of 1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine?
1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine has a molecular weight of 301.26 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine is sourced from PubChem (CID 103991987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).