4-chloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline

C16H25ClN2O — CID 107620997

IUPAC4-chloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline
SMILESCCN1CCC(C(C)Nc2ccc(Cl)c(OC)c2)CC1
InChIInChI=1S/C16H25ClN2O/c1-4-19-9-7-13(8-10-19)12(2)18-14-5-6-15(17)16(11-14)20-3/h5-6,11-13,18H,4,7-10H2,1-3H3
InChIKeyCRUHBHRPBMLJAM-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.88
Rot. Bonds5

About 4-chloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline

4-chloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline (PubChem CID 107620997) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 4-chloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline.

Molecular Properties

Compound Name4-chloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline
PubChem CID107620997
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name4-chloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline
SMILESCCN1CCC(C(C)Nc2ccc(Cl)c(OC)c2)CC1
InChIInChI=1S/C16H25ClN2O/c1-4-19-9-7-13(8-10-19)12(2)18-14-5-6-15(17)16(11-14)20-3/h5-6,11-13,18H,4,7-10H2,1-3H3
InChIKeyCRUHBHRPBMLJAM-UHFFFAOYSA-N
XLogP3.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline
CID 82857817
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-fluoro-4-methoxyaniline
CID 43380417
4-chloro-3-methoxy-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 107620998
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxyaniline
CID 43307486
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline
CID 43307758
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,5-difluoroaniline
CID 43308012
2,6-dichloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]aniline
CID 65469902
3-[1-(1-ethylpiperidin-4-yl)ethylamino]phenol
CID 43308530
3,4-dichloro-N-(1-cyclopropylethyl)aniline
CID 43110972
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methylsulfanylaniline
CID 43307452
5-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-fluorobenzonitrile
CID 62316616
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indol-6-amine
CID 174414194

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline?
The IUPAC name of 4-chloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline (CID 107620997) is 4-chloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline.
What is the SMILES notation for 4-chloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline?
The canonical SMILES for 4-chloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline is CCN1CCC(C(C)Nc2ccc(Cl)c(OC)c2)CC1.
What is the InChIKey of 4-chloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline?
The InChIKey is CRUHBHRPBMLJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-4-19-9-7-13(8-10-19)12(2)18-14-5-6-15(17)16(11-14)20-3/h5-6,11-13,18H,4,7-10H2,1-3H3.
What are the key properties of 4-chloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline?
4-chloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline has a molecular weight of 296.84 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline is sourced from PubChem (CID 107620997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).