N-[1-(1-ethylpiperidin-4-yl)ethyl]-5-fluoro-2-methylaniline

C16H25FN2 — CID 43307958

IUPACN-[1-(1-ethylpiperidin-4-yl)ethyl]-5-fluoro-2-methylaniline
SMILESCCN1CCC(C(C)Nc2cc(F)ccc2C)CC1
InChIInChI=1S/C16H25FN2/c1-4-19-9-7-14(8-10-19)13(3)18-16-11-15(17)6-5-12(16)2/h5-6,11,13-14,18H,4,7-10H2,1-3H3
InChIKeyDQIYLUUBPGLDIU-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.67
Rot. Bonds4

About N-[1-(1-ethylpiperidin-4-yl)ethyl]-5-fluoro-2-methylaniline

N-[1-(1-ethylpiperidin-4-yl)ethyl]-5-fluoro-2-methylaniline (PubChem CID 43307958) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-4-yl)ethyl]-5-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-5-fluoro-2-methylaniline
PubChem CID43307958
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-5-fluoro-2-methylaniline
SMILESCCN1CCC(C(C)Nc2cc(F)ccc2C)CC1
InChIInChI=1S/C16H25FN2/c1-4-19-9-7-14(8-10-19)13(3)18-16-11-15(17)6-5-12(16)2/h5-6,11,13-14,18H,4,7-10H2,1-3H3
InChIKeyDQIYLUUBPGLDIU-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-4-yl)ethyl]-2,4-dimethylaniline
CID 43307344
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,5-difluoroaniline
CID 43308012
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline
CID 43307758
5-bromo-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43729427
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,6-difluoroaniline
CID 43308670
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxyaniline
CID 43307486
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-propan-2-yloxyaniline
CID 43739139
4-methyl-3-[1-(1-propylpiperidin-4-yl)ethylamino]benzonitrile
CID 62105765
1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 114345610
1-N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726410

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-5-fluoro-2-methylaniline?
The IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-5-fluoro-2-methylaniline (CID 43307958) is N-[1-(1-ethylpiperidin-4-yl)ethyl]-5-fluoro-2-methylaniline.
What is the SMILES notation for N-[1-(1-ethylpiperidin-4-yl)ethyl]-5-fluoro-2-methylaniline?
The canonical SMILES for N-[1-(1-ethylpiperidin-4-yl)ethyl]-5-fluoro-2-methylaniline is CCN1CCC(C(C)Nc2cc(F)ccc2C)CC1.
What is the InChIKey of N-[1-(1-ethylpiperidin-4-yl)ethyl]-5-fluoro-2-methylaniline?
The InChIKey is DQIYLUUBPGLDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-4-19-9-7-14(8-10-19)13(3)18-16-11-15(17)6-5-12(16)2/h5-6,11,13-14,18H,4,7-10H2,1-3H3.
What are the key properties of N-[1-(1-ethylpiperidin-4-yl)ethyl]-5-fluoro-2-methylaniline?
N-[1-(1-ethylpiperidin-4-yl)ethyl]-5-fluoro-2-methylaniline has a molecular weight of 264.39 g/mol, XLogP of 3.67, 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]-5-fluoro-2-methylaniline is sourced from PubChem (CID 43307958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).