1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol

C19H28N4O — CID 72736215

IUPAC1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol
SMILESCCCCc1cn(-c2ccc(CCN3CCC(O)CC3)cc2)nn1
InChIInChI=1S/C19H28N4O/c1-2-3-4-17-15-23(21-20-17)18-7-5-16(6-8-18)9-12-22-13-10-19(24)11-14-22/h5-8,15,19,24H,2-4,9-14H2,1H3
InChIKeyZIOFWWYWSGAULH-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.61
Rot. Bonds7

About 1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol

1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol (PubChem CID 72736215) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol
PubChem CID72736215
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol
SMILESCCCCc1cn(-c2ccc(CCN3CCC(O)CC3)cc2)nn1
InChIInChI=1S/C19H28N4O/c1-2-3-4-17-15-23(21-20-17)18-7-5-16(6-8-18)9-12-22-13-10-19(24)11-14-22/h5-8,15,19,24H,2-4,9-14H2,1H3
InChIKeyZIOFWWYWSGAULH-UHFFFAOYSA-N
XLogP2.61
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol (CID 72736215) is 1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol is CCCCc1cn(-c2ccc(CCN3CCC(O)CC3)cc2)nn1.
What is the InChIKey of 1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol?
The InChIKey is ZIOFWWYWSGAULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-2-3-4-17-15-23(21-20-17)18-7-5-16(6-8-18)9-12-22-13-10-19(24)11-14-22/h5-8,15,19,24H,2-4,9-14H2,1H3.
What are the key properties of 1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol?
1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol has a molecular weight of 328.46 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-butyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol is sourced from PubChem (CID 72736215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).