2,6-dichloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]aniline

C15H22Cl2N2 — CID 65469902

IUPAC2,6-dichloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]aniline
SMILESCCN1CCC(C(C)Nc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C15H22Cl2N2/c1-3-19-9-7-12(8-10-19)11(2)18-15-13(16)5-4-6-14(15)17/h4-6,11-12,18H,3,7-10H2,1-2H3
InChIKeyUBRIYSCGEZQJMN-UHFFFAOYSA-N
MW301.26 g/mol
LogP4.53
Rot. Bonds4

About 2,6-dichloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]aniline

2,6-dichloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]aniline (PubChem CID 65469902) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]aniline
PubChem CID65469902
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC Name2,6-dichloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]aniline
SMILESCCN1CCC(C(C)Nc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C15H22Cl2N2/c1-3-19-9-7-12(8-10-19)11(2)18-15-13(16)5-4-6-14(15)17/h4-6,11-12,18H,3,7-10H2,1-2H3
InChIKeyUBRIYSCGEZQJMN-UHFFFAOYSA-N
XLogP4.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 65467589
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,6-difluoroaniline
CID 43308670
2-ethyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]-6-methylaniline
CID 60924899
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine
CID 81377394
3-[1-(1-ethylpiperidin-4-yl)ethylamino]phenol
CID 43308530
2-chloro-N-(1-cyclopentylethyl)-6-methylaniline
CID 66252662
4-chloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline
CID 107620997
1-ethyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]pyrazol-3-amine
CID 114251787
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methylsulfanylaniline
CID 43307452
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,5-difluoroaniline
CID 43308012
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)aniline
CID 43307549
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxyaniline
CID 43307486

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]aniline?
The IUPAC name of 2,6-dichloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]aniline (CID 65469902) is 2,6-dichloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]aniline.
What is the SMILES notation for 2,6-dichloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]aniline?
The canonical SMILES for 2,6-dichloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]aniline is CCN1CCC(C(C)Nc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 2,6-dichloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]aniline?
The InChIKey is UBRIYSCGEZQJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-3-19-9-7-12(8-10-19)11(2)18-15-13(16)5-4-6-14(15)17/h4-6,11-12,18H,3,7-10H2,1-2H3.
What are the key properties of 2,6-dichloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]aniline?
2,6-dichloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]aniline has a molecular weight of 301.26 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]aniline is sourced from PubChem (CID 65469902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).