4-(4-chlorophenyl)-1-[4-(triazol-1-yl)butyl]piperidin-4-ol

C17H23ClN4O — CID 22133997

IUPAC4-(4-chlorophenyl)-1-[4-(triazol-1-yl)butyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCCCn2ccnn2)CC1
InChIInChI=1S/C17H23ClN4O/c18-16-5-3-15(4-6-16)17(23)7-12-21(13-8-17)10-1-2-11-22-14-9-19-20-22/h3-6,9,14,23H,1-2,7-8,10-13H2
InChIKeyNCSUPLXPBOEGCC-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.70
Rot. Bonds6

About 4-(4-chlorophenyl)-1-[4-(triazol-1-yl)butyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[4-(triazol-1-yl)butyl]piperidin-4-ol (PubChem CID 22133997) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[4-(triazol-1-yl)butyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[4-(triazol-1-yl)butyl]piperidin-4-ol
PubChem CID22133997
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name4-(4-chlorophenyl)-1-[4-(triazol-1-yl)butyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCCCn2ccnn2)CC1
InChIInChI=1S/C17H23ClN4O/c18-16-5-3-15(4-6-16)17(23)7-12-21(13-8-17)10-1-2-11-22-14-9-19-20-22/h3-6,9,14,23H,1-2,7-8,10-13H2
InChIKeyNCSUPLXPBOEGCC-UHFFFAOYSA-N
XLogP2.70
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[4-(triazol-1-yl)butyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[4-(triazol-1-yl)butyl]piperidin-4-ol (CID 22133997) is 4-(4-chlorophenyl)-1-[4-(triazol-1-yl)butyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[4-(triazol-1-yl)butyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[4-(triazol-1-yl)butyl]piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(CCCCn2ccnn2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[4-(triazol-1-yl)butyl]piperidin-4-ol?
The InChIKey is NCSUPLXPBOEGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O/c18-16-5-3-15(4-6-16)17(23)7-12-21(13-8-17)10-1-2-11-22-14-9-19-20-22/h3-6,9,14,23H,1-2,7-8,10-13H2.
What are the key properties of 4-(4-chlorophenyl)-1-[4-(triazol-1-yl)butyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[4-(triazol-1-yl)butyl]piperidin-4-ol has a molecular weight of 334.85 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[4-(triazol-1-yl)butyl]piperidin-4-ol is sourced from PubChem (CID 22133997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).