1-(oxolan-2-ylmethyl)-4-(4-phenyl-1,2,4-triazol-3-yl)piperidine

C18H24N4O — CID 53192549

IUPAC1-(oxolan-2-ylmethyl)-4-(4-phenyl-1,2,4-triazol-3-yl)piperidine
SMILESc1ccc(-n2cnnc2C2CCN(CC3CCCO3)CC2)cc1
InChIInChI=1S/C18H24N4O/c1-2-5-16(6-3-1)22-14-19-20-18(22)15-8-10-21(11-9-15)13-17-7-4-12-23-17/h1-3,5-6,14-15,17H,4,7-13H2
InChIKeyAYSNRQUCQUVCGE-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.63
Rot. Bonds4

About 1-(oxolan-2-ylmethyl)-4-(4-phenyl-1,2,4-triazol-3-yl)piperidine

1-(oxolan-2-ylmethyl)-4-(4-phenyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 53192549) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-4-(4-phenyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-4-(4-phenyl-1,2,4-triazol-3-yl)piperidine
PubChem CID53192549
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-(oxolan-2-ylmethyl)-4-(4-phenyl-1,2,4-triazol-3-yl)piperidine
SMILESc1ccc(-n2cnnc2C2CCN(CC3CCCO3)CC2)cc1
InChIInChI=1S/C18H24N4O/c1-2-5-16(6-3-1)22-14-19-20-18(22)15-8-10-21(11-9-15)13-17-7-4-12-23-17/h1-3,5-6,14-15,17H,4,7-13H2
InChIKeyAYSNRQUCQUVCGE-UHFFFAOYSA-N
XLogP2.63
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-4-(4-phenyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-(oxolan-2-ylmethyl)-4-(4-phenyl-1,2,4-triazol-3-yl)piperidine (CID 53192549) is 1-(oxolan-2-ylmethyl)-4-(4-phenyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-4-(4-phenyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-4-(4-phenyl-1,2,4-triazol-3-yl)piperidine is c1ccc(-n2cnnc2C2CCN(CC3CCCO3)CC2)cc1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-4-(4-phenyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is AYSNRQUCQUVCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-2-5-16(6-3-1)22-14-19-20-18(22)15-8-10-21(11-9-15)13-17-7-4-12-23-17/h1-3,5-6,14-15,17H,4,7-13H2.
What are the key properties of 1-(oxolan-2-ylmethyl)-4-(4-phenyl-1,2,4-triazol-3-yl)piperidine?
1-(oxolan-2-ylmethyl)-4-(4-phenyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 312.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-4-(4-phenyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 53192549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).