2,4-dichloro-N-(2-piperidin-1-ylethyl)aniline

C13H18Cl2N2 — CID 54806085

IUPAC2,4-dichloro-N-(2-piperidin-1-ylethyl)aniline
SMILESClc1ccc(NCCN2CCCCC2)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2/c14-11-4-5-13(12(15)10-11)16-6-9-17-7-2-1-3-8-17/h4-5,10,16H,1-3,6-9H2
InChIKeyLSWPVXYENMHQIA-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.89
Rot. Bonds4

About 2,4-dichloro-N-(2-piperidin-1-ylethyl)aniline

2,4-dichloro-N-(2-piperidin-1-ylethyl)aniline (PubChem CID 54806085) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-piperidin-1-ylethyl)aniline.

Molecular Properties

Compound Name2,4-dichloro-N-(2-piperidin-1-ylethyl)aniline
PubChem CID54806085
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name2,4-dichloro-N-(2-piperidin-1-ylethyl)aniline
SMILESClc1ccc(NCCN2CCCCC2)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2/c14-11-4-5-13(12(15)10-11)16-6-9-17-7-2-1-3-8-17/h4-5,10,16H,1-3,6-9H2
InChIKeyLSWPVXYENMHQIA-UHFFFAOYSA-N
XLogP3.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-iodo-N-(2-pyrrolidin-1-ylethyl)aniline
CID 107912088
2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573332
4-chloro-2-(2-piperidin-1-ylethylamino)benzenecarbothioamide
CID 63092143
4-chloro-2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889283
4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573511
2-chloro-4-fluoro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 54960814
4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 60679405
3-(2,4-dichloroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013396
2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 25037231
3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline
CID 54807377
3-chloro-1-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
CID 104834468
4-chloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 107634893

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-piperidin-1-ylethyl)aniline?
The IUPAC name of 2,4-dichloro-N-(2-piperidin-1-ylethyl)aniline (CID 54806085) is 2,4-dichloro-N-(2-piperidin-1-ylethyl)aniline.
What is the SMILES notation for 2,4-dichloro-N-(2-piperidin-1-ylethyl)aniline?
The canonical SMILES for 2,4-dichloro-N-(2-piperidin-1-ylethyl)aniline is Clc1ccc(NCCN2CCCCC2)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-N-(2-piperidin-1-ylethyl)aniline?
The InChIKey is LSWPVXYENMHQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c14-11-4-5-13(12(15)10-11)16-6-9-17-7-2-1-3-8-17/h4-5,10,16H,1-3,6-9H2.
What are the key properties of 2,4-dichloro-N-(2-piperidin-1-ylethyl)aniline?
2,4-dichloro-N-(2-piperidin-1-ylethyl)aniline has a molecular weight of 273.21 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-piperidin-1-ylethyl)aniline is sourced from PubChem (CID 54806085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).