(2-aminopiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone;dihydrochloride

C14H19Cl2N5O — CID 142638814

IUPAC(2-aminopiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone;dihydrochloride
SMILESCl.Cl.NC1CCCCN1C(=O)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C14H17N5O.2ClH/c15-13-3-1-2-8-18(13)14(20)11-4-6-12(7-5-11)19-10-16-9-17-19;;/h4-7,9-10,13H,1-3,8,15H2;2*1H
InChIKeyFOZIJCOSAUYYSL-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.02
Rot. Bonds2

About (2-aminopiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone;dihydrochloride

(2-aminopiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone;dihydrochloride (PubChem CID 142638814) has the molecular formula C14H19Cl2N5O and a molecular weight of 344.25 g/mol. Its IUPAC name is (2-aminopiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone;dihydrochloride.

Molecular Properties

Compound Name(2-aminopiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone;dihydrochloride
PubChem CID142638814
Molecular FormulaC14H19Cl2N5O
Molecular Weight344.25 g/mol
Exact Mass343.10
IUPAC Name(2-aminopiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone;dihydrochloride
SMILESCl.Cl.NC1CCCCN1C(=O)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C14H17N5O.2ClH/c15-13-3-1-2-8-18(13)14(20)11-4-6-12(7-5-11)19-10-16-9-17-19;;/h4-7,9-10,13H,1-3,8,15H2;2*1H
InChIKeyFOZIJCOSAUYYSL-UHFFFAOYSA-N
XLogP2.02
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride
CID 119467085
(2-pyridin-4-ylpyrrolidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 24631475
[2-(aminomethyl)piperidin-1-yl]-[2-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride
CID 119469855
N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
CID 124743149
4-[4-(1,2,4-triazol-1-yl)benzoyl]morpholine-3-carboxylic acid
CID 122146530
ethyl 1-[4-(1,2,4-triazol-1-yl)benzoyl]piperidine-3-carboxylate
CID 46524573
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124690862
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124692087
[4-[2-aminoethyl(methyl)amino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;dihydrochloride
CID 23285102
[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 32691507
(4-benzylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 27162681
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 46511091

Frequently Asked Questions

What is the IUPAC name of (2-aminopiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone;dihydrochloride?
The IUPAC name of (2-aminopiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone;dihydrochloride (CID 142638814) is (2-aminopiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone;dihydrochloride.
What is the SMILES notation for (2-aminopiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone;dihydrochloride?
The canonical SMILES for (2-aminopiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone;dihydrochloride is Cl.Cl.NC1CCCCN1C(=O)c1ccc(-n2cncn2)cc1.
What is the InChIKey of (2-aminopiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone;dihydrochloride?
The InChIKey is FOZIJCOSAUYYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O.2ClH/c15-13-3-1-2-8-18(13)14(20)11-4-6-12(7-5-11)19-10-16-9-17-19;;/h4-7,9-10,13H,1-3,8,15H2;2*1H.
What are the key properties of (2-aminopiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone;dihydrochloride?
(2-aminopiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone;dihydrochloride has a molecular weight of 344.25 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminopiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone;dihydrochloride is sourced from PubChem (CID 142638814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).