N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,5-difluoroaniline

C15H22F2N2 — CID 43308012

IUPACN-[1-(1-ethylpiperidin-4-yl)ethyl]-3,5-difluoroaniline
SMILESCCN1CCC(C(C)Nc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C15H22F2N2/c1-3-19-6-4-12(5-7-19)11(2)18-15-9-13(16)8-14(17)10-15/h8-12,18H,3-7H2,1-2H3
InChIKeyIXQLUXORUSXETJ-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.50
Rot. Bonds4

About N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,5-difluoroaniline

N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,5-difluoroaniline (PubChem CID 43308012) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,5-difluoroaniline.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-3,5-difluoroaniline
PubChem CID43308012
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-3,5-difluoroaniline
SMILESCCN1CCC(C(C)Nc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C15H22F2N2/c1-3-19-6-4-12(5-7-19)11(2)18-15-9-13(16)8-14(17)10-15/h8-12,18H,3-7H2,1-2H3
InChIKeyIXQLUXORUSXETJ-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-fluoro-4-methoxyaniline
CID 43380417
3-fluoro-5-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 79054955
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]-2,6-difluoroaniline
CID 43308670
N-[1-(1-ethylpiperidin-4-yl)ethyl]-5-fluoro-2-methylaniline
CID 43307958
3-[1-(1-ethylpiperidin-4-yl)ethylamino]phenol
CID 43308530
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)aniline
CID 43307549
N-[1-(1-ethylpiperidin-4-yl)ethyl]-1-methylpyrazol-4-amine
CID 43534725
N-[1-(1-ethylpiperidin-4-yl)ethyl]-4-fluoro-2-iodoaniline
CID 79768481
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-fluoro-4-methylaniline
CID 43308622
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline
CID 62810700

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,5-difluoroaniline?
The IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,5-difluoroaniline (CID 43308012) is N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,5-difluoroaniline.
What is the SMILES notation for N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,5-difluoroaniline?
The canonical SMILES for N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,5-difluoroaniline is CCN1CCC(C(C)Nc2cc(F)cc(F)c2)CC1.
What is the InChIKey of N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,5-difluoroaniline?
The InChIKey is IXQLUXORUSXETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-3-19-6-4-12(5-7-19)11(2)18-15-9-13(16)8-14(17)10-15/h8-12,18H,3-7H2,1-2H3.
What are the key properties of N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,5-difluoroaniline?
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,5-difluoroaniline has a molecular weight of 268.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,5-difluoroaniline is sourced from PubChem (CID 43308012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).