[(2S)-2-(aminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)triazol-4-yl]methanone

C15H18FN5O — CID 124573478

IUPAC[(2S)-2-(aminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)triazol-4-yl]methanone
SMILESNC[C@@H]1CCCCN1C(=O)c1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H18FN5O/c16-11-4-6-12(7-5-11)21-18-10-14(19-21)15(22)20-8-2-1-3-13(20)9-17/h4-7,10,13H,1-3,8-9,17H2/t13-/m0/s1
InChIKeyUHXAFHOAVZOKER-ZDUSSCGKSA-N
MW303.34 g/mol
LogP1.36
Rot. Bonds3

About [(2S)-2-(aminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)triazol-4-yl]methanone

[(2S)-2-(aminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)triazol-4-yl]methanone (PubChem CID 124573478) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is [(2S)-2-(aminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(aminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)triazol-4-yl]methanone
PubChem CID124573478
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC Name[(2S)-2-(aminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)triazol-4-yl]methanone
SMILESNC[C@@H]1CCCCN1C(=O)c1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H18FN5O/c16-11-4-6-12(7-5-11)21-18-10-14(19-21)15(22)20-8-2-1-3-13(20)9-17/h4-7,10,13H,1-3,8-9,17H2/t13-/m0/s1
InChIKeyUHXAFHOAVZOKER-ZDUSSCGKSA-N
XLogP1.36
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-fluorophenyl)triazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650333
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
[2-(4-fluorophenyl)triazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 111435926
[2-(aminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119467138
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone;hydrochloride
CID 119597279
[2-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119468484
1-[2-(4-fluorophenyl)triazole-4-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113522
[(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 124573470
[2-(4-fluorophenyl)triazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111435990
[2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 62957995
[2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736898
[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone
CID 107015808

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(aminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)triazol-4-yl]methanone?
The IUPAC name of [(2S)-2-(aminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)triazol-4-yl]methanone (CID 124573478) is [(2S)-2-(aminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)triazol-4-yl]methanone.
What is the SMILES notation for [(2S)-2-(aminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)triazol-4-yl]methanone?
The canonical SMILES for [(2S)-2-(aminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)triazol-4-yl]methanone is NC[C@@H]1CCCCN1C(=O)c1cnn(-c2ccc(F)cc2)n1.
What is the InChIKey of [(2S)-2-(aminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)triazol-4-yl]methanone?
The InChIKey is UHXAFHOAVZOKER-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18FN5O/c16-11-4-6-12(7-5-11)21-18-10-14(19-21)15(22)20-8-2-1-3-13(20)9-17/h4-7,10,13H,1-3,8-9,17H2/t13-/m0/s1.
What are the key properties of [(2S)-2-(aminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)triazol-4-yl]methanone?
[(2S)-2-(aminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)triazol-4-yl]methanone has a molecular weight of 303.34 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(aminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)triazol-4-yl]methanone is sourced from PubChem (CID 124573478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).