N-(2-aminoethyl)-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride

C15H22Cl2FN3O — CID 119916869

IUPACN-(2-aminoethyl)-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CCCN(Cc2ccc(F)cc2Cl)C1
InChIInChI=1S/C15H21ClFN3O.ClH/c16-14-8-13(17)4-3-11(14)9-20-7-1-2-12(10-20)15(21)19-6-5-18;/h3-4,8,12H,1-2,5-7,9-10,18H2,(H,19,21);1H
InChIKeyKFYYWAYQQDQOKX-UHFFFAOYSA-N
MW350.27 g/mol
LogP2.19
Rot. Bonds5

About N-(2-aminoethyl)-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119916869) has the molecular formula C15H22Cl2FN3O and a molecular weight of 350.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119916869
Molecular FormulaC15H22Cl2FN3O
Molecular Weight350.27 g/mol
Exact Mass349.11
IUPAC NameN-(2-aminoethyl)-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CCCN(Cc2ccc(F)cc2Cl)C1
InChIInChI=1S/C15H21ClFN3O.ClH/c16-14-8-13(17)4-3-11(14)9-20-7-1-2-12(10-20)15(21)19-6-5-18;/h3-4,8,12H,1-2,5-7,9-10,18H2,(H,19,21);1H
InChIKeyKFYYWAYQQDQOKX-UHFFFAOYSA-N
XLogP2.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-[(4-bromo-2-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916793
N-(2-aminoethyl)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide
CID 104869329
N-(2-aminoethyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916674
N-(2-aminoethyl)-1-[(5-bromo-2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 103815402
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 93492122
N-(2-aminoethyl)-1-[(4-ethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917061
N-butyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43924214
N-(2-aminoethyl)-1-[(3,5-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 63252374
1-[(2-chloro-4-fluorophenyl)methyl]-N'-hydroxypiperidine-3-carboximidamide
CID 77041991
N-(2-aminoethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 120837271
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 93490238

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride (CID 119916869) is N-(2-aminoethyl)-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride is Cl.NCCNC(=O)C1CCCN(Cc2ccc(F)cc2Cl)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is KFYYWAYQQDQOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN3O.ClH/c16-14-8-13(17)4-3-11(14)9-20-7-1-2-12(10-20)15(21)19-6-5-18;/h3-4,8,12H,1-2,5-7,9-10,18H2,(H,19,21);1H.
What are the key properties of N-(2-aminoethyl)-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 350.27 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119916869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).