3,4-difluoro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline

C14H20F2N2 — CID 62416863

IUPAC3,4-difluoro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
SMILESCN1CCCCC1CCNc1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2/c1-18-9-3-2-4-12(18)7-8-17-11-5-6-13(15)14(16)10-11/h5-6,10,12,17H,2-4,7-9H2,1H3
InChIKeyFXSHFEHNDWCJNF-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.25
Rot. Bonds4

About 3,4-difluoro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline

3,4-difluoro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline (PubChem CID 62416863) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline.

Molecular Properties

Compound Name3,4-difluoro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
PubChem CID62416863
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name3,4-difluoro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
SMILESCN1CCCCC1CCNc1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2/c1-18-9-3-2-4-12(18)7-8-17-11-5-6-13(15)14(16)10-11/h5-6,10,12,17H,2-4,7-9H2,1H3
InChIKeyFXSHFEHNDWCJNF-UHFFFAOYSA-N
XLogP3.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 62413919
4-ethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 62414895
4-chloro-2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62658635
N-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62415492
2,5-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62654307
2-chloro-4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 107606615
4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(1-methylpiperidin-2-yl)ethyl]pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 18967331
2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]phenol
CID 107700090
(1R)-1-(4-fluorophenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine
CID 81347133
N-(cyclopentylmethyl)-3,4-difluoroaniline
CID 61344637
2,6-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62655066
2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]-5-(trifluoromethyl)aniline
CID 63038399

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline?
The IUPAC name of 3,4-difluoro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline (CID 62416863) is 3,4-difluoro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline.
What is the SMILES notation for 3,4-difluoro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline?
The canonical SMILES for 3,4-difluoro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline is CN1CCCCC1CCNc1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline?
The InChIKey is FXSHFEHNDWCJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-18-9-3-2-4-12(18)7-8-17-11-5-6-13(15)14(16)10-11/h5-6,10,12,17H,2-4,7-9H2,1H3.
What are the key properties of 3,4-difluoro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline?
3,4-difluoro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline has a molecular weight of 254.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline is sourced from PubChem (CID 62416863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).