(Z)-N-piperidin-1-yl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine

C15H19N5 — CID 75402436

IUPAC(Z)-N-piperidin-1-yl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine
SMILESC/C(=N/N1CCCCC1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C15H19N5/c1-13(18-19-9-3-2-4-10-19)14-5-7-15(8-6-14)20-12-16-11-17-20/h5-8,11-12H,2-4,9-10H2,1H3/b18-13-
InChIKeyACPRKHINTKEPTI-AQTBWJFISA-N
MW269.35 g/mol
LogP2.48
Rot. Bonds3

About (Z)-N-piperidin-1-yl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine

(Z)-N-piperidin-1-yl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine (PubChem CID 75402436) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is (Z)-N-piperidin-1-yl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine.

Molecular Properties

Compound Name(Z)-N-piperidin-1-yl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine
PubChem CID75402436
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name(Z)-N-piperidin-1-yl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine
SMILESC/C(=N/N1CCCCC1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C15H19N5/c1-13(18-19-9-3-2-4-10-19)14-5-7-15(8-6-14)20-12-16-11-17-20/h5-8,11-12H,2-4,9-10H2,1H3/b18-13-
InChIKeyACPRKHINTKEPTI-AQTBWJFISA-N
XLogP2.48
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-phenylmethoxy-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine
CID 42935131
1,4-bis[4-(1,2,4-triazol-1-yl)phenyl]piperazine
CID 141429794
2,2-dimethyl-1-[4-(1,2,4-triazol-1-yl)phenyl]propan-1-one
CID 58252503
(2-aminopiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone;dihydrochloride
CID 142638814
ethyl 1-[4-(1,2,4-triazol-1-yl)benzoyl]piperidine-3-carboxylate
CID 46524573
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 35371042
1-(3-morpholin-4-ylpropyl)-3-[(Z)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethylideneamino]thiourea
CID 29169323
[2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride
CID 119467085
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 4-(1,2,4-triazol-1-yl)benzoate
CID 9483561
4-[[cyclopropyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]methyl]benzoic acid
CID 122034028
[(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

Frequently Asked Questions

What is the IUPAC name of (Z)-N-piperidin-1-yl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine?
The IUPAC name of (Z)-N-piperidin-1-yl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine (CID 75402436) is (Z)-N-piperidin-1-yl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine.
What is the SMILES notation for (Z)-N-piperidin-1-yl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine?
The canonical SMILES for (Z)-N-piperidin-1-yl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine is C/C(=N/N1CCCCC1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of (Z)-N-piperidin-1-yl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine?
The InChIKey is ACPRKHINTKEPTI-AQTBWJFISA-N. The full InChI is InChI=1S/C15H19N5/c1-13(18-19-9-3-2-4-10-19)14-5-7-15(8-6-14)20-12-16-11-17-20/h5-8,11-12H,2-4,9-10H2,1H3/b18-13-.
What are the key properties of (Z)-N-piperidin-1-yl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine?
(Z)-N-piperidin-1-yl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine has a molecular weight of 269.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-piperidin-1-yl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine is sourced from PubChem (CID 75402436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).