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

C15H26N4O — CID 53192748

IUPAC1-(oxan-4-yl)-3-(4-propyl-1,2,4-triazol-3-yl)piperidine
SMILESCCCn1cnnc1C1CCCN(C2CCOCC2)C1
InChIInChI=1S/C15H26N4O/c1-2-7-19-12-16-17-15(19)13-4-3-8-18(11-13)14-5-9-20-10-6-14/h12-14H,2-11H2,1H3
InChIKeyRZVKYLBHOANYFQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.05
Rot. Bonds4

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

1-(oxan-4-yl)-3-(4-propyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 53192748) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(oxan-4-yl)-3-(4-propyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-(oxan-4-yl)-3-(4-propyl-1,2,4-triazol-3-yl)piperidine
PubChem CID53192748
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-(oxan-4-yl)-3-(4-propyl-1,2,4-triazol-3-yl)piperidine
SMILESCCCn1cnnc1C1CCCN(C2CCOCC2)C1
InChIInChI=1S/C15H26N4O/c1-2-7-19-12-16-17-15(19)13-4-3-8-18(11-13)14-5-9-20-10-6-14/h12-14H,2-11H2,1H3
InChIKeyRZVKYLBHOANYFQ-UHFFFAOYSA-N
XLogP2.05
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-ethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(tetrahydro-2H-pyran-4-yl)piperidine
CID 72848313
4-[4-cyclopropyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(tetrahydro-2H-pyran-4-yl)piperidine
CID 72910728
3-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine
CID 73439203
4-[3-(2-methoxyethyl)-4H-1,2,4-triazol-4-yl]piperidine
CID 83284481
3-(4-isopropyl-4H-1,2,4-triazol-3-yl)-1-tetrahydro-2H-pyran-4-ylpiperidine
CID 53192749
4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(tetrahydrofuran-3-ylmethyl)piperidine
CID 74237197
1-[(4-Methyl-1,2,4-triazol-3-yl)methyl]-4-(oxan-4-yl)piperidine
CID 86770994
4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(tetrahydro-2H-pyran-3-ylmethyl)piperidine
CID 91832863
4-Methoxy-1-[4-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]piperidine
CID 136541707
3-[5-Methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine
CID 165428401
4-[4-methyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(tetrahydro-2H-pyran-4-yl)piperidine
CID 72842317
5-(Oxan-4-yl)-1-propan-2-yl-1,2,4-triazole
CID 67734820

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-3-(4-propyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-(oxan-4-yl)-3-(4-propyl-1,2,4-triazol-3-yl)piperidine (CID 53192748) is 1-(oxan-4-yl)-3-(4-propyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-(oxan-4-yl)-3-(4-propyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-(oxan-4-yl)-3-(4-propyl-1,2,4-triazol-3-yl)piperidine is CCCn1cnnc1C1CCCN(C2CCOCC2)C1.
What is the InChIKey of 1-(oxan-4-yl)-3-(4-propyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is RZVKYLBHOANYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-7-19-12-16-17-15(19)13-4-3-8-18(11-13)14-5-9-20-10-6-14/h12-14H,2-11H2,1H3.
What are the key properties of 1-(oxan-4-yl)-3-(4-propyl-1,2,4-triazol-3-yl)piperidine?
1-(oxan-4-yl)-3-(4-propyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 278.40 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-3-(4-propyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 53192748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).