1-phenyl-4-(3-propyltriazol-4-yl)piperidin-4-ol

C16H22N4O — CID 106820939

IUPAC1-phenyl-4-(3-propyltriazol-4-yl)piperidin-4-ol
SMILESCCCn1nncc1C1(O)CCN(c2ccccc2)CC1
InChIInChI=1S/C16H22N4O/c1-2-10-20-15(13-17-18-20)16(21)8-11-19(12-9-16)14-6-4-3-5-7-14/h3-7,13,21H,2,8-12H2,1H3
InChIKeyJCXPXTIJHULTBS-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.18
Rot. Bonds4

About 1-phenyl-4-(3-propyltriazol-4-yl)piperidin-4-ol

1-phenyl-4-(3-propyltriazol-4-yl)piperidin-4-ol (PubChem CID 106820939) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-phenyl-4-(3-propyltriazol-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-phenyl-4-(3-propyltriazol-4-yl)piperidin-4-ol
PubChem CID106820939
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-phenyl-4-(3-propyltriazol-4-yl)piperidin-4-ol
SMILESCCCn1nncc1C1(O)CCN(c2ccccc2)CC1
InChIInChI=1S/C16H22N4O/c1-2-10-20-15(13-17-18-20)16(21)8-11-19(12-9-16)14-6-4-3-5-7-14/h3-7,13,21H,2,8-12H2,1H3
InChIKeyJCXPXTIJHULTBS-UHFFFAOYSA-N
XLogP2.18
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-(3-propyltriazol-4-yl)piperidin-4-ol
CID 114684610
1-(3-propyltriazol-4-yl)cyclopentan-1-ol
CID 114684539
8-(3-propyltriazol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 114685110
3-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol
CID 103564590
3-cyclopropyl-1-(3-propyltriazol-4-yl)cyclohexan-1-ol
CID 114685047
2-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol
CID 130555176
4-fluoro-1-(3-propyltriazol-4-yl)-2,3-dihydroinden-1-ol
CID 114685403
1-(3-phenyltriazol-4-yl)cycloheptan-1-ol
CID 114684542
4-pentan-2-yl-1-phenylpiperidin-4-ol
CID 114013455
1-phenyl-3-(3-propyltriazol-4-yl)propan-1-ol
CID 114690545
5-(2-tert-butylpyrrolidin-2-yl)-1-propyltriazole
CID 114688277
4-(3-phenyltriazol-4-yl)azepan-4-ol
CID 114685429

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(3-propyltriazol-4-yl)piperidin-4-ol?
The IUPAC name of 1-phenyl-4-(3-propyltriazol-4-yl)piperidin-4-ol (CID 106820939) is 1-phenyl-4-(3-propyltriazol-4-yl)piperidin-4-ol.
What is the SMILES notation for 1-phenyl-4-(3-propyltriazol-4-yl)piperidin-4-ol?
The canonical SMILES for 1-phenyl-4-(3-propyltriazol-4-yl)piperidin-4-ol is CCCn1nncc1C1(O)CCN(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-4-(3-propyltriazol-4-yl)piperidin-4-ol?
The InChIKey is JCXPXTIJHULTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-10-20-15(13-17-18-20)16(21)8-11-19(12-9-16)14-6-4-3-5-7-14/h3-7,13,21H,2,8-12H2,1H3.
What are the key properties of 1-phenyl-4-(3-propyltriazol-4-yl)piperidin-4-ol?
1-phenyl-4-(3-propyltriazol-4-yl)piperidin-4-ol has a molecular weight of 286.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(3-propyltriazol-4-yl)piperidin-4-ol is sourced from PubChem (CID 106820939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).