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

C15H22F2N2 — CID 43307811

IUPACN-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4-difluoroaniline
SMILESCCN1CCCC(C(C)Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H22F2N2/c1-3-19-8-4-5-12(10-19)11(2)18-13-6-7-14(16)15(17)9-13/h6-7,9,11-12,18H,3-5,8,10H2,1-2H3
InChIKeyLBVZOJGHEIAPHO-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.50
Rot. Bonds4

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

N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4-difluoroaniline (PubChem CID 43307811) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4-difluoroaniline.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4-difluoroaniline
PubChem CID43307811
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC NameN-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4-difluoroaniline
SMILESCCN1CCCC(C(C)Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H22F2N2/c1-3-19-8-4-5-12(10-19)11(2)18-13-6-7-14(16)15(17)9-13/h6-7,9,11-12,18H,3-5,8,10H2,1-2H3
InChIKeyLBVZOJGHEIAPHO-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-3-yl)ethyl]-3,4,5-trifluoroaniline
CID 62810700
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline
CID 43307715
4-chloro-3-fluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43721347
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-(trifluoromethyl)aniline
CID 43307675
4-[1-(1-ethylpiperidin-3-yl)ethylamino]benzonitrile
CID 43307943
2,5-dichloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline
CID 43307449
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-ethynylaniline
CID 43307335
N-[3-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]acetamide
CID 43307791
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,5-dimethoxyaniline
CID 43307671
[4-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]urea
CID 43744846
5-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,4-difluoroaniline
CID 102853203
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 43308421

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4-difluoroaniline?
The IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4-difluoroaniline (CID 43307811) is N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4-difluoroaniline.
What is the SMILES notation for N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4-difluoroaniline?
The canonical SMILES for N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4-difluoroaniline is CCN1CCCC(C(C)Nc2ccc(F)c(F)c2)C1.
What is the InChIKey of N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4-difluoroaniline?
The InChIKey is LBVZOJGHEIAPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-3-19-8-4-5-12(10-19)11(2)18-13-6-7-14(16)15(17)9-13/h6-7,9,11-12,18H,3-5,8,10H2,1-2H3.
What are the key properties of N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4-difluoroaniline?
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4-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-3-yl)ethyl]-3,4-difluoroaniline is sourced from PubChem (CID 43307811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).