N-[1-(2,4-dichlorophenyl)propyl]-1,2-dimethylpiperidin-4-amine

C16H24Cl2N2 — CID 81342935

IUPACN-[1-(2,4-dichlorophenyl)propyl]-1,2-dimethylpiperidin-4-amine
SMILESCCC(NC1CCN(C)C(C)C1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H24Cl2N2/c1-4-16(14-6-5-12(17)10-15(14)18)19-13-7-8-20(3)11(2)9-13/h5-6,10-11,13,16,19H,4,7-9H2,1-3H3
InChIKeyMMPMGRGUUIRKBO-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.52
Rot. Bonds4

About N-[1-(2,4-dichlorophenyl)propyl]-1,2-dimethylpiperidin-4-amine

N-[1-(2,4-dichlorophenyl)propyl]-1,2-dimethylpiperidin-4-amine (PubChem CID 81342935) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)propyl]-1,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)propyl]-1,2-dimethylpiperidin-4-amine
PubChem CID81342935
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC NameN-[1-(2,4-dichlorophenyl)propyl]-1,2-dimethylpiperidin-4-amine
SMILESCCC(NC1CCN(C)C(C)C1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H24Cl2N2/c1-4-16(14-6-5-12(17)10-15(14)18)19-13-7-8-20(3)11(2)9-13/h5-6,10-11,13,16,19H,4,7-9H2,1-3H3
InChIKeyMMPMGRGUUIRKBO-UHFFFAOYSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dichlorophenyl)propyl]-4-methylcyclohexan-1-amine
CID 43503316
N-[1-(2,4-dichlorophenyl)propyl]-2-methyloxan-4-amine
CID 103907260
N-[1-(2,4-dichlorophenyl)propyl]-2,6-dimethylpiperidin-1-amine
CID 83006822
N-[1-(2,4-dichlorophenyl)propyl]-2-methylcyclopentan-1-amine
CID 63463585
1-(2,4-dichlorophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515230
3-[1-(2,4-dichlorophenyl)propylamino]-2,2-dimethylcyclobutan-1-ol
CID 114629197
4-chloro-2-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]phenol
CID 79032255
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1,2-dimethylpiperidin-4-amine
CID 81343630
(2R)-2-[(1,2-dimethylpiperidin-4-yl)amino]-2-phenylethanol
CID 103788675
N-[2-(azepan-1-yl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine
CID 63454562
1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)propan-1-amine
CID 63454306
N-cyclopentyl-1-(2,4-dichlorophenyl)ethane-1,2-diamine
CID 65386057

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-1,2-dimethylpiperidin-4-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-1,2-dimethylpiperidin-4-amine (CID 81342935) is N-[1-(2,4-dichlorophenyl)propyl]-1,2-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)propyl]-1,2-dimethylpiperidin-4-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)propyl]-1,2-dimethylpiperidin-4-amine is CCC(NC1CCN(C)C(C)C1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)propyl]-1,2-dimethylpiperidin-4-amine?
The InChIKey is MMPMGRGUUIRKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-4-16(14-6-5-12(17)10-15(14)18)19-13-7-8-20(3)11(2)9-13/h5-6,10-11,13,16,19H,4,7-9H2,1-3H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)propyl]-1,2-dimethylpiperidin-4-amine?
N-[1-(2,4-dichlorophenyl)propyl]-1,2-dimethylpiperidin-4-amine has a molecular weight of 315.29 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)propyl]-1,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 81342935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).