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

C15H22F2N2 — CID 43308670

IUPACN-[1-(1-ethylpiperidin-4-yl)ethyl]-2,6-difluoroaniline
SMILESCCN1CCC(C(C)Nc2c(F)cccc2F)CC1
InChIInChI=1S/C15H22F2N2/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
InChIKeyPYRAORTXVYDMAI-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.50
Rot. Bonds4

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

N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,6-difluoroaniline (PubChem CID 43308670) 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]-2,6-difluoroaniline.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-2,6-difluoroaniline
PubChem CID43308670
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-2,6-difluoroaniline
SMILESCCN1CCC(C(C)Nc2c(F)cccc2F)CC1
InChIInChI=1S/C15H22F2N2/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
InChIKeyPYRAORTXVYDMAI-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-cyclopropylethyl)-2,6-difluoroaniline
CID 43123985
2,6-dichloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]aniline
CID 65469902
2-ethyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]-6-methylaniline
CID 60924899
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,5-difluoroaniline
CID 43308012
3-[1-(1-ethylpiperidin-4-yl)ethylamino]phenol
CID 43308530
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-fluoro-4-methylaniline
CID 43308622
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methylsulfanylaniline
CID 43307452
N-[1-(1-ethylpiperidin-4-yl)ethyl]-5-fluoro-2-methylaniline
CID 43307958
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)aniline
CID 43307549
N-(2,6-difluorophenyl)-1-ethylazepan-4-amine
CID 65074729
N-[1-(1-ethylpiperidin-4-yl)ethyl]-4-fluoro-2-iodoaniline
CID 79768481
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-fluoro-4-methoxyaniline
CID 43380417

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,6-difluoroaniline?
The IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,6-difluoroaniline (CID 43308670) is N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,6-difluoroaniline.
What is the SMILES notation for N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,6-difluoroaniline?
The canonical SMILES for N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,6-difluoroaniline is CCN1CCC(C(C)Nc2c(F)cccc2F)CC1.
What is the InChIKey of N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,6-difluoroaniline?
The InChIKey is PYRAORTXVYDMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/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 N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,6-difluoroaniline?
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,6-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]-2,6-difluoroaniline is sourced from PubChem (CID 43308670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).