2-[2-(aminomethyl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride

C15H23ClFN3O — CID 119916095

IUPAC2-[2-(aminomethyl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride
SMILESCl.NCC1CCCCN1CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H22FN3O.ClH/c16-13-6-4-12(5-7-13)10-18-15(20)11-19-8-2-1-3-14(19)9-17;/h4-7,14H,1-3,8-11,17H2,(H,18,20);1H
InChIKeyHMPLLOYOLCQQIC-UHFFFAOYSA-N
MW315.82 g/mol
LogP1.68
Rot. Bonds5

About 2-[2-(aminomethyl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride

2-[2-(aminomethyl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride (PubChem CID 119916095) 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-[(4-fluorophenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(aminomethyl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride
PubChem CID119916095
Molecular FormulaC15H23ClFN3O
Molecular Weight315.82 g/mol
Exact Mass315.15
IUPAC Name2-[2-(aminomethyl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride
SMILESCl.NCC1CCCCN1CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H22FN3O.ClH/c16-13-6-4-12(5-7-13)10-18-15(20)11-19-8-2-1-3-14(19)9-17;/h4-7,14H,1-3,8-11,17H2,(H,18,20);1H
InChIKeyHMPLLOYOLCQQIC-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

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Related Compounds

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 81493296
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
CID 119927205
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzylacetamide;hydrochloride
CID 119927076
2-[2-(aminomethyl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119916023
[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916113
N-[(4-fluorophenyl)methyl]-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 41456048
3-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 109021052
2-[2-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492406
2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 95319020
N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62047041
N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63249994
N-[[4-(ethoxymethyl)phenyl]methyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 87012423

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-[2-(aminomethyl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride (CID 119916095) is 2-[2-(aminomethyl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(aminomethyl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-[2-(aminomethyl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride is Cl.NCC1CCCCN1CC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-[2-(aminomethyl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride?
The InChIKey is HMPLLOYOLCQQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O.ClH/c16-13-6-4-12(5-7-13)10-18-15(20)11-19-8-2-1-3-14(19)9-17;/h4-7,14H,1-3,8-11,17H2,(H,18,20);1H.
What are the key properties of 2-[2-(aminomethyl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride?
2-[2-(aminomethyl)piperidin-1-yl]-N-[(4-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-[(4-fluorophenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119916095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).