4-(2-aminoethyl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide;dihydrochloride

C14H21Cl2F2N3O — CID 155823379

IUPAC4-(2-aminoethyl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide;dihydrochloride
SMILESCl.Cl.NCCC1CCN(C(=O)Nc2cc(F)ccc2F)CC1
InChIInChI=1S/C14H19F2N3O.2ClH/c15-11-1-2-12(16)13(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);2*1H
InChIKeyWKXCKTOHCPVDQN-UHFFFAOYSA-N
MW356.24 g/mol
LogP3.40
Rot. Bonds3

About 4-(2-aminoethyl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide;dihydrochloride

4-(2-aminoethyl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide;dihydrochloride (PubChem CID 155823379) has the molecular formula C14H21Cl2F2N3O and a molecular weight of 356.24 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide;dihydrochloride
PubChem CID155823379
Molecular FormulaC14H21Cl2F2N3O
Molecular Weight356.24 g/mol
Exact Mass355.10
IUPAC Name4-(2-aminoethyl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide;dihydrochloride
SMILESCl.Cl.NCCC1CCN(C(=O)Nc2cc(F)ccc2F)CC1
InChIInChI=1S/C14H19F2N3O.2ClH/c15-11-1-2-12(16)13(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);2*1H
InChIKeyWKXCKTOHCPVDQN-UHFFFAOYSA-N
XLogP3.40
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 56773384
N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223019
N-(2,5-difluorophenyl)-4-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxamide
CID 91903624
N-(2,5-difluorophenyl)-4-[2-(3-methoxypropanoylamino)ethyl]piperidine-1-carboxamide
CID 91913300
4-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide;dihydrochloride
CID 155823381
3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 114802239
N-[2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-4-yl]ethyl]pyrazine-2-carboxamide
CID 91903616
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride
CID 119917859
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
4-fluoro-2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 114799068

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide;dihydrochloride?
The IUPAC name of 4-(2-aminoethyl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide;dihydrochloride (CID 155823379) is 4-(2-aminoethyl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(2-aminoethyl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide;dihydrochloride?
The canonical SMILES for 4-(2-aminoethyl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide;dihydrochloride is Cl.Cl.NCCC1CCN(C(=O)Nc2cc(F)ccc2F)CC1.
What is the InChIKey of 4-(2-aminoethyl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide;dihydrochloride?
The InChIKey is WKXCKTOHCPVDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O.2ClH/c15-11-1-2-12(16)13(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);2*1H.
What are the key properties of 4-(2-aminoethyl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide;dihydrochloride?
4-(2-aminoethyl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide;dihydrochloride has a molecular weight of 356.24 g/mol, XLogP of 3.40, 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-(2,5-difluorophenyl)piperidine-1-carboxamide;dihydrochloride is sourced from PubChem (CID 155823379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).