1-(2-phenylethyl)-4-(4-propyl-1,2,4-triazol-3-yl)piperidine

C18H26N4 — CID 53192545

IUPAC1-(2-phenylethyl)-4-(4-propyl-1,2,4-triazol-3-yl)piperidine
SMILESCCCn1cnnc1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C18H26N4/c1-2-11-22-15-19-20-18(22)17-9-13-21(14-10-17)12-8-16-6-4-3-5-7-16/h3-7,15,17H,2,8-14H2,1H3
InChIKeyXBSLIXZZOZSTED-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.11
Rot. Bonds6

About 1-(2-phenylethyl)-4-(4-propyl-1,2,4-triazol-3-yl)piperidine

1-(2-phenylethyl)-4-(4-propyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 53192545) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(2-phenylethyl)-4-(4-propyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-(2-phenylethyl)-4-(4-propyl-1,2,4-triazol-3-yl)piperidine
PubChem CID53192545
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name1-(2-phenylethyl)-4-(4-propyl-1,2,4-triazol-3-yl)piperidine
SMILESCCCn1cnnc1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C18H26N4/c1-2-11-22-15-19-20-18(22)17-9-13-21(14-10-17)12-8-16-6-4-3-5-7-16/h3-7,15,17H,2,8-14H2,1H3
InChIKeyXBSLIXZZOZSTED-UHFFFAOYSA-N
XLogP3.11
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-4-(4-propyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-(2-phenylethyl)-4-(4-propyl-1,2,4-triazol-3-yl)piperidine (CID 53192545) is 1-(2-phenylethyl)-4-(4-propyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-(2-phenylethyl)-4-(4-propyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-(2-phenylethyl)-4-(4-propyl-1,2,4-triazol-3-yl)piperidine is CCCn1cnnc1C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-(2-phenylethyl)-4-(4-propyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is XBSLIXZZOZSTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-2-11-22-15-19-20-18(22)17-9-13-21(14-10-17)12-8-16-6-4-3-5-7-16/h3-7,15,17H,2,8-14H2,1H3.
What are the key properties of 1-(2-phenylethyl)-4-(4-propyl-1,2,4-triazol-3-yl)piperidine?
1-(2-phenylethyl)-4-(4-propyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 298.43 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-4-(4-propyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 53192545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).