1-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine

C14H20F2N2 — CID 80553557

IUPAC1-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine
SMILESCC(NCC1CCCNC1)c1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2/c1-10(13-5-4-12(15)7-14(13)16)18-9-11-3-2-6-17-8-11/h4-5,7,10-11,17-18H,2-3,6,8-9H2,1H3
InChIKeyXOVICTNWKDGPTL-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.62
Rot. Bonds4

About 1-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine

1-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine (PubChem CID 80553557) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine
PubChem CID80553557
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine
SMILESCC(NCC1CCCNC1)c1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2/c1-10(13-5-4-12(15)7-14(13)16)18-9-11-3-2-6-17-8-11/h4-5,7,10-11,17-18H,2-3,6,8-9H2,1H3
InChIKeyXOVICTNWKDGPTL-UHFFFAOYSA-N
XLogP2.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906841
1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 80555461
(1R)-1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 81349439
1-(2,4-difluorophenyl)-N-[(2-methylcyclohexyl)methyl]ethanamine
CID 63453969
N-(piperidin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 80554145
2-[1-(cyclohexylmethylamino)ethyl]-5-fluorophenol
CID 63065844
1-(2,4-difluorophenyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 116951278
N-(piperidin-3-ylmethyl)-1-thiophen-2-ylethanamine;hydrochloride
CID 71637837
1-(2,4-difluorophenyl)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]ethanamine
CID 103276257
4-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020016
N-[1-(2,4-difluorophenyl)ethyl]-N-methylpiperidin-3-amine
CID 55248346
3-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020017

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine (CID 80553557) is 1-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine is CC(NCC1CCCNC1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine?
The InChIKey is XOVICTNWKDGPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-10(13-5-4-12(15)7-14(13)16)18-9-11-3-2-6-17-8-11/h4-5,7,10-11,17-18H,2-3,6,8-9H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine?
1-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine has a molecular weight of 254.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 80553557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).