[2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride

C15H20ClN5O — CID 119467085

IUPAC[2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C15H19N5O.ClH/c16-9-14-3-1-2-8-19(14)15(21)12-4-6-13(7-5-12)20-11-17-10-18-20;/h4-7,10-11,14H,1-3,8-9,16H2;1H
InChIKeyXARVHNRKDNTLJH-UHFFFAOYSA-N
MW321.81 g/mol
LogP1.64
Rot. Bonds3

About [2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride

[2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride (PubChem CID 119467085) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride
PubChem CID119467085
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C15H19N5O.ClH/c16-9-14-3-1-2-8-19(14)15(21)12-4-6-13(7-5-12)20-11-17-10-18-20;/h4-7,10-11,14H,1-3,8-9,16H2;1H
InChIKeyXARVHNRKDNTLJH-UHFFFAOYSA-N
XLogP1.64
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-[2-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride
CID 119469855
(2-aminopiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone;dihydrochloride
CID 142638814
[2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 119467259
[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone
CID 122080310
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
[4-[2-aminoethyl(methyl)amino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;dihydrochloride
CID 23285102
(2-pyridin-4-ylpyrrolidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 24631475
[2-(aminomethyl)pyrrolidin-1-yl]-(4-methylsulfanylphenyl)methanone;hydrochloride
CID 119630987
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124692087
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124690862
ethyl 1-[4-(1,2,4-triazol-1-yl)benzoyl]piperidine-3-carboxylate
CID 46524573
[2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104671337

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride (CID 119467085) is [2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride is Cl.NCC1CCCCN1C(=O)c1ccc(-n2cncn2)cc1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride?
The InChIKey is XARVHNRKDNTLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O.ClH/c16-9-14-3-1-2-8-19(14)15(21)12-4-6-13(7-5-12)20-11-17-10-18-20;/h4-7,10-11,14H,1-3,8-9,16H2;1H.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride?
[2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride has a molecular weight of 321.81 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride is sourced from PubChem (CID 119467085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).