4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide

C14H19F2N3O — CID 56773384

IUPAC4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
SMILESNCCC1CCN(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C14H19F2N3O/c15-11-1-2-13(12(16)9-11)18-14(20)19-7-4-10(3-6-17)5-8-19/h1-2,9-10H,3-8,17H2,(H,18,20)
InChIKeySJSFYOJLPGFOJE-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.56
Rot. Bonds3

About 4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide

4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide (PubChem CID 56773384) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
PubChem CID56773384
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
SMILESNCCC1CCN(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C14H19F2N3O/c15-11-1-2-13(12(16)9-11)18-14(20)19-7-4-10(3-6-17)5-8-19/h1-2,9-10H,3-8,17H2,(H,18,20)
InChIKeySJSFYOJLPGFOJE-UHFFFAOYSA-N
XLogP2.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminoethyl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide;dihydrochloride
CID 155823379
N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide
CID 60819455
1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16770140
4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 63595164
(3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 102984073
N-(2,4-difluorophenyl)-4-(4-fluorobenzoyl)piperidine-1-carboxamide
CID 24761982
3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 114802239
N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 43288448
(4S)-N-(2,4-difluorophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 95723660
(3S)-N-(2,4-difluorophenyl)-3-[(dimethylamino)methyl]piperidine-1-carboxamide
CID 94797423
4-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide;dihydrochloride
CID 155823381
N-(2,4-difluorophenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide
CID 72933025

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide (CID 56773384) is 4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide is NCCC1CCN(C(=O)Nc2ccc(F)cc2F)CC1.
What is the InChIKey of 4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide?
The InChIKey is SJSFYOJLPGFOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c15-11-1-2-13(12(16)9-11)18-14(20)19-7-4-10(3-6-17)5-8-19/h1-2,9-10H,3-8,17H2,(H,18,20).
What are the key properties of 4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide?
4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide has a molecular weight of 283.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 56773384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).