piperidin-3-yl-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]methanol

C21H24N4O — CID 167761587

IUPACpiperidin-3-yl-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]methanol
SMILESOC(c1ccc(-c2ccc(Cn3cncn3)cc2)cc1)C1CCCNC1
InChIInChI=1S/C21H24N4O/c26-21(20-2-1-11-22-12-20)19-9-7-18(8-10-19)17-5-3-16(4-6-17)13-25-15-23-14-24-25/h3-10,14-15,20-22,26H,1-2,11-13H2
InChIKeyATHIQSSSXUQLFL-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.03
Rot. Bonds5

About piperidin-3-yl-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]methanol

piperidin-3-yl-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]methanol (PubChem CID 167761587) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is piperidin-3-yl-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]methanol.

Molecular Properties

Compound Namepiperidin-3-yl-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]methanol
PubChem CID167761587
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Namepiperidin-3-yl-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]methanol
SMILESOC(c1ccc(-c2ccc(Cn3cncn3)cc2)cc1)C1CCCNC1
InChIInChI=1S/C21H24N4O/c26-21(20-2-1-11-22-12-20)19-9-7-18(8-10-19)17-5-3-16(4-6-17)13-25-15-23-14-24-25/h3-10,14-15,20-22,26H,1-2,11-13H2
InChIKeyATHIQSSSXUQLFL-UHFFFAOYSA-N
XLogP3.03
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperidin-3-yl-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]methanol?
The IUPAC name of piperidin-3-yl-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]methanol (CID 167761587) is piperidin-3-yl-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]methanol.
What is the SMILES notation for piperidin-3-yl-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]methanol?
The canonical SMILES for piperidin-3-yl-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]methanol is OC(c1ccc(-c2ccc(Cn3cncn3)cc2)cc1)C1CCCNC1.
What is the InChIKey of piperidin-3-yl-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]methanol?
The InChIKey is ATHIQSSSXUQLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c26-21(20-2-1-11-22-12-20)19-9-7-18(8-10-19)17-5-3-16(4-6-17)13-25-15-23-14-24-25/h3-10,14-15,20-22,26H,1-2,11-13H2.
What are the key properties of piperidin-3-yl-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]methanol?
piperidin-3-yl-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]methanol has a molecular weight of 348.45 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-yl-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]methanol is sourced from PubChem (CID 167761587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).