1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)ethanamine

C15H22Cl2N2 — CID 60694801

IUPAC1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)ethanamine
SMILESCC(NCCN1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2/c1-12(13-5-6-14(16)15(17)11-13)18-7-10-19-8-3-2-4-9-19/h5-6,11-12,18H,2-4,7-10H2,1H3
InChIKeyURMFQLDJARBCFG-UHFFFAOYSA-N
MW301.26 g/mol
LogP4.13
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)ethanamine

1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)ethanamine (PubChem CID 60694801) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)ethanamine
PubChem CID60694801
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC Name1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)ethanamine
SMILESCC(NCCN1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2/c1-12(13-5-6-14(16)15(17)11-13)18-7-10-19-8-3-2-4-9-19/h5-6,11-12,18H,2-4,7-10H2,1H3
InChIKeyURMFQLDJARBCFG-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-2-yl-N-(2-piperidin-1-ylethyl)ethanamine
CID 60694800
N-[2-(azepan-1-yl)ethyl]-1-(4-ethylphenyl)ethanamine
CID 61239798
N-[1-(3-chloro-4-piperidin-1-ylphenyl)ethyl]propan-1-amine
CID 62908479
N-[1-(3-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203896
(1S)-1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-(2-piperidin-1-ylethyl)ethanamine
CID 124572393
1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 54861037
N-[2-(azepan-1-yl)ethyl]-1-(2,5-dimethylphenyl)ethanamine
CID 61240183
4-(azepan-1-yl)-2-(3,4-dichlorophenyl)butanenitrile
CID 19909380
N-[1-(3-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203840
1-[3-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43203420
1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine
CID 62911050
3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82089741

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)ethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)ethanamine (CID 60694801) is 1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)ethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)ethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)ethanamine is CC(NCCN1CCCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)ethanamine?
The InChIKey is URMFQLDJARBCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-12(13-5-6-14(16)15(17)11-13)18-7-10-19-8-3-2-4-9-19/h5-6,11-12,18H,2-4,7-10H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)ethanamine?
1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)ethanamine has a molecular weight of 301.26 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)ethanamine is sourced from PubChem (CID 60694801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).