2-[2-(aminomethyl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride

C15H23ClFN3O — CID 119916023

IUPAC2-[2-(aminomethyl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
SMILESCl.NCC1CCCCN1CC(=O)NCc1ccccc1F
InChIInChI=1S/C15H22FN3O.ClH/c16-14-7-2-1-5-12(14)10-18-15(20)11-19-8-4-3-6-13(19)9-17;/h1-2,5,7,13H,3-4,6,8-11,17H2,(H,18,20);1H
InChIKeyLFOUWEUHVFBWFK-UHFFFAOYSA-N
MW315.82 g/mol
LogP1.68
Rot. Bonds5

About 2-[2-(aminomethyl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride

2-[2-(aminomethyl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride (PubChem CID 119916023) has the molecular formula C15H23ClFN3O and a molecular weight of 315.82 g/mol. Its IUPAC name is 2-[2-(aminomethyl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(aminomethyl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
PubChem CID119916023
Molecular FormulaC15H23ClFN3O
Molecular Weight315.82 g/mol
Exact Mass315.15
IUPAC Name2-[2-(aminomethyl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
SMILESCl.NCC1CCCCN1CC(=O)NCc1ccccc1F
InChIInChI=1S/C15H22FN3O.ClH/c16-14-7-2-1-5-12(14)10-18-15(20)11-19-8-4-3-6-13(19)9-17;/h1-2,5,7,13H,3-4,6,8-11,17H2,(H,18,20);1H
InChIKeyLFOUWEUHVFBWFK-UHFFFAOYSA-N
XLogP1.68
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(aminomethyl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide
CID 17428154
2-[2-(aminomethyl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride
CID 119916095
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzylacetamide;hydrochloride
CID 119927076
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 81493296
2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 52506437
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
CID 119927205
N-[(2-chlorophenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 108998036
2-[2-(aminomethyl)piperidin-1-yl]-N-phenylacetamide
CID 43186987
N-[(2-fluorophenyl)methyl]-2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide
CID 31313746
2-[2-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride
CID 119916158
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 81492043
2-[2-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492406

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-[2-(aminomethyl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride (CID 119916023) is 2-[2-(aminomethyl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(aminomethyl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-[2-(aminomethyl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride is Cl.NCC1CCCCN1CC(=O)NCc1ccccc1F.
What is the InChIKey of 2-[2-(aminomethyl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride?
The InChIKey is LFOUWEUHVFBWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O.ClH/c16-14-7-2-1-5-12(14)10-18-15(20)11-19-8-4-3-6-13(19)9-17;/h1-2,5,7,13H,3-4,6,8-11,17H2,(H,18,20);1H.
What are the key properties of 2-[2-(aminomethyl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride?
2-[2-(aminomethyl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride has a molecular weight of 315.82 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119916023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).