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

C24H25N5O — CID 45208965

IUPACphenyl-[1-[1-(quinolin-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol
SMILESOC(c1ccccc1)c1cn(C2CCN(Cc3cnc4ccccc4c3)CC2)nn1
InChIInChI=1S/C24H25N5O/c30-24(19-6-2-1-3-7-19)23-17-29(27-26-23)21-10-12-28(13-11-21)16-18-14-20-8-4-5-9-22(20)25-15-18/h1-9,14-15,17,21,24,30H,10-13,16H2
InChIKeyYHYGVFVFKMKJNI-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.75
Rot. Bonds5

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

phenyl-[1-[1-(quinolin-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol (PubChem CID 45208965) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is phenyl-[1-[1-(quinolin-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol.

Molecular Properties

Compound Namephenyl-[1-[1-(quinolin-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol
PubChem CID45208965
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Namephenyl-[1-[1-(quinolin-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol
SMILESOC(c1ccccc1)c1cn(C2CCN(Cc3cnc4ccccc4c3)CC2)nn1
InChIInChI=1S/C24H25N5O/c30-24(19-6-2-1-3-7-19)23-17-29(27-26-23)21-10-12-28(13-11-21)16-18-14-20-8-4-5-9-22(20)25-15-18/h1-9,14-15,17,21,24,30H,10-13,16H2
InChIKeyYHYGVFVFKMKJNI-UHFFFAOYSA-N
XLogP3.75
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of phenyl-[1-[1-(quinolin-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol?
The IUPAC name of phenyl-[1-[1-(quinolin-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol (CID 45208965) is phenyl-[1-[1-(quinolin-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol.
What is the SMILES notation for phenyl-[1-[1-(quinolin-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol?
The canonical SMILES for phenyl-[1-[1-(quinolin-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol is OC(c1ccccc1)c1cn(C2CCN(Cc3cnc4ccccc4c3)CC2)nn1.
What is the InChIKey of phenyl-[1-[1-(quinolin-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol?
The InChIKey is YHYGVFVFKMKJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c30-24(19-6-2-1-3-7-19)23-17-29(27-26-23)21-10-12-28(13-11-21)16-18-14-20-8-4-5-9-22(20)25-15-18/h1-9,14-15,17,21,24,30H,10-13,16H2.
What are the key properties of phenyl-[1-[1-(quinolin-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol?
phenyl-[1-[1-(quinolin-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol has a molecular weight of 399.50 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-[1-(quinolin-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol is sourced from PubChem (CID 45208965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).