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

C10H18N4O — CID 65417216

IUPAC[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol
SMILESCn1ncnc1CN1CCC(CO)CC1
InChIInChI=1S/C10H18N4O/c1-13-10(11-8-12-13)6-14-4-2-9(7-15)3-5-14/h8-9,15H,2-7H2,1H3
InChIKeyHHEAEJNCYLHGGF-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.02
Rot. Bonds3

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

[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol (PubChem CID 65417216) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol
PubChem CID65417216
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol
SMILESCn1ncnc1CN1CCC(CO)CC1
InChIInChI=1S/C10H18N4O/c1-13-10(11-8-12-13)6-14-4-2-9(7-15)3-5-14/h8-9,15H,2-7H2,1H3
InChIKeyHHEAEJNCYLHGGF-UHFFFAOYSA-N
XLogP0.02
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol (CID 65417216) is [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol is Cn1ncnc1CN1CCC(CO)CC1.
What is the InChIKey of [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is HHEAEJNCYLHGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-13-10(11-8-12-13)6-14-4-2-9(7-15)3-5-14/h8-9,15H,2-7H2,1H3.
What are the key properties of [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol?
[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 210.28 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 65417216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).