N-[2-(3,4-dichlorophenyl)ethyl]-N,1-dimethylpiperidin-3-amine

C15H22Cl2N2 — CID 547467

IUPACN-[2-(3,4-dichlorophenyl)ethyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)CCc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H22Cl2N2/c1-18-8-3-4-13(11-18)19(2)9-7-12-5-6-14(16)15(17)10-12/h5-6,10,13H,3-4,7-9,11H2,1-2H3
InChIKeyGWSDEZBGUQLVNF-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.56
Rot. Bonds4

About N-[2-(3,4-dichlorophenyl)ethyl]-N,1-dimethylpiperidin-3-amine

N-[2-(3,4-dichlorophenyl)ethyl]-N,1-dimethylpiperidin-3-amine (PubChem CID 547467) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)ethyl]-N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)ethyl]-N,1-dimethylpiperidin-3-amine
PubChem CID547467
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC NameN-[2-(3,4-dichlorophenyl)ethyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)CCc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H22Cl2N2/c1-18-8-3-4-13(11-18)19(2)9-7-12-5-6-14(16)15(17)10-12/h5-6,10,13H,3-4,7-9,11H2,1-2H3
InChIKeyGWSDEZBGUQLVNF-UHFFFAOYSA-N
XLogP3.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Chlorcyclizine Hydrochloride
CID 62413
N-(2-(3,4-Dichlorophenyl)ethyl)-N-methyl-1-pyrrolidineethanamine
CID 126388
N1-(2-(3,4-Dichlorophenyl)ethyl)-N1,N2,N2-trimethyl-1,2-ethanediamine
CID 188914
1-(2-(3,4-Dichlorophenyl)ethyl)-4-methylpiperazine
CID 574780
(RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine
CID 16102764
1-[2-(3,4-Dichlorophenyl)ethyl]-4-propylpiperazine
CID 587944
Lauryldimethyl-3,4-dichlorobenzylammonium chloride
CID 7605
1-(2-(3,4-Dichlorophenyl)ethyl)piperazine
CID 44314387
BD 1063 Dihydrochloride
CID 11617161
Piperazine, 1-[3-fluoropropyl]-4-[2-(3,4-dichlorophenyl)ethyl]-
CID 594236
Piperazine, 1-[5-fluoropentyl]-4-[2-(3,4-dichlorophenyl)ethyl]-
CID 604376
1-Benzyl-4-(3,4-dichlorobenzyl)piperazine
CID 764022

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]-N,1-dimethylpiperidin-3-amine?
The IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]-N,1-dimethylpiperidin-3-amine (CID 547467) is N-[2-(3,4-dichlorophenyl)ethyl]-N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)ethyl]-N,1-dimethylpiperidin-3-amine?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)ethyl]-N,1-dimethylpiperidin-3-amine is CN1CCCC(N(C)CCc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)ethyl]-N,1-dimethylpiperidin-3-amine?
The InChIKey is GWSDEZBGUQLVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-18-8-3-4-13(11-18)19(2)9-7-12-5-6-14(16)15(17)10-12/h5-6,10,13H,3-4,7-9,11H2,1-2H3.
What are the key properties of N-[2-(3,4-dichlorophenyl)ethyl]-N,1-dimethylpiperidin-3-amine?
N-[2-(3,4-dichlorophenyl)ethyl]-N,1-dimethylpiperidin-3-amine has a molecular weight of 301.26 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)ethyl]-N,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 547467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).