1-propan-2-yl-4-(1,2,4-triazol-4-yl)piperidine

C10H18N4 — CID 147700791

IUPAC1-propan-2-yl-4-(1,2,4-triazol-4-yl)piperidine
SMILESCC(C)N1CCC(n2cnnc2)CC1
InChIInChI=1S/C10H18N4/c1-9(2)13-5-3-10(4-6-13)14-7-11-12-8-14/h7-10H,3-6H2,1-2H3
InChIKeyGSUOUKONMBYELX-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.32
Rot. Bonds2

About 1-propan-2-yl-4-(1,2,4-triazol-4-yl)piperidine

1-propan-2-yl-4-(1,2,4-triazol-4-yl)piperidine (PubChem CID 147700791) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-propan-2-yl-4-(1,2,4-triazol-4-yl)piperidine.

Molecular Properties

Compound Name1-propan-2-yl-4-(1,2,4-triazol-4-yl)piperidine
PubChem CID147700791
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-propan-2-yl-4-(1,2,4-triazol-4-yl)piperidine
SMILESCC(C)N1CCC(n2cnnc2)CC1
InChIInChI=1S/C10H18N4/c1-9(2)13-5-3-10(4-6-13)14-7-11-12-8-14/h7-10H,3-6H2,1-2H3
InChIKeyGSUOUKONMBYELX-UHFFFAOYSA-N
XLogP1.32
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-1-propan-2-ylpyrrolidin-3-yl]imidazole
CID 59927644
1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
CID 58904691
(1-propan-2-ylpiperidin-4-yl)arsane
CID 173205346
4-(azetidin-1-yl)-1-propan-2-ylpiperidine
CID 21054794
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
ethane;1-propan-2-yl-4-pyrazol-1-ylpiperidine
CID 156829114
4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine
CID 59903777
4-cyclopropyl-1-propan-2-ylpiperidine
CID 70331530
1,4-di(propan-2-yl)piperidine
CID 21303253
(2R)-2-methyl-4-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 169054191
2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2,7-di(propan-2-yl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine
CID 164996340
(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
CID 130210207

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(1,2,4-triazol-4-yl)piperidine?
The IUPAC name of 1-propan-2-yl-4-(1,2,4-triazol-4-yl)piperidine (CID 147700791) is 1-propan-2-yl-4-(1,2,4-triazol-4-yl)piperidine.
What is the SMILES notation for 1-propan-2-yl-4-(1,2,4-triazol-4-yl)piperidine?
The canonical SMILES for 1-propan-2-yl-4-(1,2,4-triazol-4-yl)piperidine is CC(C)N1CCC(n2cnnc2)CC1.
What is the InChIKey of 1-propan-2-yl-4-(1,2,4-triazol-4-yl)piperidine?
The InChIKey is GSUOUKONMBYELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-9(2)13-5-3-10(4-6-13)14-7-11-12-8-14/h7-10H,3-6H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-(1,2,4-triazol-4-yl)piperidine?
1-propan-2-yl-4-(1,2,4-triazol-4-yl)piperidine has a molecular weight of 194.28 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(1,2,4-triazol-4-yl)piperidine is sourced from PubChem (CID 147700791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).