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

C15H24ClN3 — CID 55089751

IUPAC1-[2-(2-chloroanilino)ethyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(CCNc2ccccc2Cl)CC1
InChIInChI=1S/C15H24ClN3/c1-18(2)13-7-10-19(11-8-13)12-9-17-15-6-4-3-5-14(15)16/h3-6,13,17H,7-12H2,1-2H3
InChIKeyWBMBVBTWOQBVTD-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.78
Rot. Bonds5

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

1-[2-(2-chloroanilino)ethyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 55089751) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-[2-(2-chloroanilino)ethyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(2-chloroanilino)ethyl]-N,N-dimethylpiperidin-4-amine
PubChem CID55089751
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name1-[2-(2-chloroanilino)ethyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(CCNc2ccccc2Cl)CC1
InChIInChI=1S/C15H24ClN3/c1-18(2)13-7-10-19(11-8-13)12-9-17-15-6-4-3-5-14(15)16/h3-6,13,17H,7-12H2,1-2H3
InChIKeyWBMBVBTWOQBVTD-UHFFFAOYSA-N
XLogP2.78
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-chloroaniline
CID 63502704
2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573332
1-[2-(2-chloroanilino)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63167572
2-chloro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 55090288
2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline
CID 62575700
N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-chloroaniline
CID 79924619
2,3-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 79016629
2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline
CID 54806883
2-chloro-N-[2-(2-ethylazepan-1-yl)ethyl]aniline
CID 104692395
1-benzyl-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 136512544
N-(2-chlorophenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754729
3-chloro-1-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
CID 104834468

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroanilino)ethyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[2-(2-chloroanilino)ethyl]-N,N-dimethylpiperidin-4-amine (CID 55089751) is 1-[2-(2-chloroanilino)ethyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(2-chloroanilino)ethyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[2-(2-chloroanilino)ethyl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(CCNc2ccccc2Cl)CC1.
What is the InChIKey of 1-[2-(2-chloroanilino)ethyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is WBMBVBTWOQBVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-18(2)13-7-10-19(11-8-13)12-9-17-15-6-4-3-5-14(15)16/h3-6,13,17H,7-12H2,1-2H3.
What are the key properties of 1-[2-(2-chloroanilino)ethyl]-N,N-dimethylpiperidin-4-amine?
1-[2-(2-chloroanilino)ethyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 281.83 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroanilino)ethyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 55089751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).