[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(4-fluorophenyl)triazol-4-yl]methanone

C16H20FN5O — CID 125150672

IUPAC[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(4-fluorophenyl)triazol-4-yl]methanone
SMILESC[C@@H](N)[C@H]1CCCCN1C(=O)c1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C16H20FN5O/c1-11(18)15-4-2-3-9-21(15)16(23)14-10-22(20-19-14)13-7-5-12(17)6-8-13/h5-8,10-11,15H,2-4,9,18H2,1H3/t11-,15-/m1/s1
InChIKeyFOMFSDXZYWMOMU-IAQYHMDHSA-N
MW317.37 g/mol
LogP1.75
Rot. Bonds3

About [(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(4-fluorophenyl)triazol-4-yl]methanone

[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(4-fluorophenyl)triazol-4-yl]methanone (PubChem CID 125150672) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is [(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(4-fluorophenyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(4-fluorophenyl)triazol-4-yl]methanone
PubChem CID125150672
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC Name[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(4-fluorophenyl)triazol-4-yl]methanone
SMILESC[C@@H](N)[C@H]1CCCCN1C(=O)c1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C16H20FN5O/c1-11(18)15-4-2-3-9-21(15)16(23)14-10-22(20-19-14)13-7-5-12(17)6-8-13/h5-8,10-11,15H,2-4,9,18H2,1H3/t11-,15-/m1/s1
InChIKeyFOMFSDXZYWMOMU-IAQYHMDHSA-N
XLogP1.75
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 124690820
[(2R)-2-(aminomethyl)piperidin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone
CID 124698560
3-[(2R)-1-[1-(4-fluorophenyl)triazole-4-carbonyl]piperidin-2-yl]propanoic acid
CID 124701425
[2-(1-aminoethyl)piperidin-1-yl]-[1-(3-methylbutyl)triazol-4-yl]methanone;hydrochloride
CID 119434773
(4-aminopiperidin-1-yl)-[1-(4-fluorophenyl)triazol-4-yl]methanone
CID 53491083
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 124569387
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone
CID 124569323
[1-(4-fluorophenyl)triazol-4-yl]-(2-methylpiperazin-1-yl)methanone
CID 167776575
[2-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119436927
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 124569587
[2-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 119434439
[2-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-2-iodophenyl)methanone;hydrochloride
CID 119435592

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(4-fluorophenyl)triazol-4-yl]methanone?
The IUPAC name of [(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(4-fluorophenyl)triazol-4-yl]methanone (CID 125150672) is [(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(4-fluorophenyl)triazol-4-yl]methanone.
What is the SMILES notation for [(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(4-fluorophenyl)triazol-4-yl]methanone?
The canonical SMILES for [(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(4-fluorophenyl)triazol-4-yl]methanone is C[C@@H](N)[C@H]1CCCCN1C(=O)c1cn(-c2ccc(F)cc2)nn1.
What is the InChIKey of [(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(4-fluorophenyl)triazol-4-yl]methanone?
The InChIKey is FOMFSDXZYWMOMU-IAQYHMDHSA-N. The full InChI is InChI=1S/C16H20FN5O/c1-11(18)15-4-2-3-9-21(15)16(23)14-10-22(20-19-14)13-7-5-12(17)6-8-13/h5-8,10-11,15H,2-4,9,18H2,1H3/t11-,15-/m1/s1.
What are the key properties of [(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(4-fluorophenyl)triazol-4-yl]methanone?
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(4-fluorophenyl)triazol-4-yl]methanone has a molecular weight of 317.37 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(4-fluorophenyl)triazol-4-yl]methanone is sourced from PubChem (CID 125150672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).