2-(3,4-dichlorophenyl)-N-methyl-3-piperidin-3-ylpropan-1-amine

C15H22Cl2N2 — CID 134419979

IUPAC2-(3,4-dichlorophenyl)-N-methyl-3-piperidin-3-ylpropan-1-amine
SMILESCNCC(CC1CCCNC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2/c1-18-10-13(7-11-3-2-6-19-9-11)12-4-5-14(16)15(17)8-12/h4-5,8,11,13,18-19H,2-3,6-7,9-10H2,1H3
InChIKeyDISNLHUOKVMABM-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.69
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-methyl-3-piperidin-3-ylpropan-1-amine

2-(3,4-dichlorophenyl)-N-methyl-3-piperidin-3-ylpropan-1-amine (PubChem CID 134419979) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-methyl-3-piperidin-3-ylpropan-1-amine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-methyl-3-piperidin-3-ylpropan-1-amine
PubChem CID134419979
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC Name2-(3,4-dichlorophenyl)-N-methyl-3-piperidin-3-ylpropan-1-amine
SMILESCNCC(CC1CCCNC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2/c1-18-10-13(7-11-3-2-6-19-9-11)12-4-5-14(16)15(17)8-12/h4-5,8,11,13,18-19H,2-3,6-7,9-10H2,1H3
InChIKeyDISNLHUOKVMABM-UHFFFAOYSA-N
XLogP3.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 120847721
2-(4-chlorophenyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 79441644
2-(3,4-dichlorophenyl)-N-methylbutan-1-amine
CID 23202154
1-(4-chlorophenyl)-2-piperidin-3-ylethanamine
CID 116936332
methyl 2-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetate
CID 120848191
2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 81491759
N-methyl-1-(4-methylphenyl)-2-piperidin-3-ylethanamine
CID 116951716
4-(3,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)butanamide
CID 119462608
3-(3,4-dichlorophenyl)-4-(methylamino)butan-1-ol
CID 10824416
(3S)-3-(3,4-dichlorophenyl)-4-(methylamino)butan-1-ol
CID 20794252
(3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine
CID 26190720
1-(4-fluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906832

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-3-piperidin-3-ylpropan-1-amine?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-3-piperidin-3-ylpropan-1-amine (CID 134419979) is 2-(3,4-dichlorophenyl)-N-methyl-3-piperidin-3-ylpropan-1-amine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-methyl-3-piperidin-3-ylpropan-1-amine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-methyl-3-piperidin-3-ylpropan-1-amine is CNCC(CC1CCCNC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-methyl-3-piperidin-3-ylpropan-1-amine?
The InChIKey is DISNLHUOKVMABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-18-10-13(7-11-3-2-6-19-9-11)12-4-5-14(16)15(17)8-12/h4-5,8,11,13,18-19H,2-3,6-7,9-10H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-methyl-3-piperidin-3-ylpropan-1-amine?
2-(3,4-dichlorophenyl)-N-methyl-3-piperidin-3-ylpropan-1-amine has a molecular weight of 301.26 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-methyl-3-piperidin-3-ylpropan-1-amine is sourced from PubChem (CID 134419979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).