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

C9H16N4O — CID 174629022

IUPAC[1-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methanol
SMILESOCc1ncn(CC2CCNCC2)n1
InChIInChI=1S/C9H16N4O/c14-6-9-11-7-13(12-9)5-8-1-3-10-4-2-8/h7-8,10,14H,1-6H2
InChIKeyBNKOKZGLPURDAR-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.23
Rot. Bonds3

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

[1-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 174629022) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is [1-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[1-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID174629022
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name[1-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methanol
SMILESOCc1ncn(CC2CCNCC2)n1
InChIInChI=1S/C9H16N4O/c14-6-9-11-7-13(12-9)5-8-1-3-10-4-2-8/h7-8,10,14H,1-6H2
InChIKeyBNKOKZGLPURDAR-UHFFFAOYSA-N
XLogP-0.23
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-methyl-1H-1,2,4-triazol-5-yl)piperidin-4-ol dihydrochloride
CID 126809505
4-(1-Methyl-1H-1,2,4-triazol-5-yl)piperidin-4-ol
CID 126809506
4-(1-Ethyl-1H-1,2,4-triazol-5-yl)piperidine
CID 62695870
3-[2-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]ethyl]piperidine
CID 55107397
4-[2-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]ethyl]piperidine
CID 55107872
(4-Methyl-5-(piperidin-4-yl)-4H-1,2,4-triazol-3-yl)methanol
CID 56737756
3-(4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)piperidine
CID 62709536
3-[[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidine
CID 62710891
4-(4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)piperidine
CID 62711764
4-[(2-Methyl-1,2,4-triazol-3-yl)methoxy]piperidine
CID 63876170
4-[(2-Ethyl-1,2,4-triazol-3-yl)methoxy]piperidine
CID 63876340
2-methoxy-N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 65601136

Frequently Asked Questions

What is the IUPAC name of [1-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [1-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methanol (CID 174629022) is [1-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [1-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [1-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methanol is OCc1ncn(CC2CCNCC2)n1.
What is the InChIKey of [1-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is BNKOKZGLPURDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c14-6-9-11-7-13(12-9)5-8-1-3-10-4-2-8/h7-8,10,14H,1-6H2.
What are the key properties of [1-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methanol?
[1-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 196.25 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 174629022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).