3-[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-1-ol

C16H23N5O — CID 29026785

IUPAC3-[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-1-ol
SMILESCc1cc(N2CCC(n3cc(CCCO)nn3)CC2)ccn1
InChIInChI=1S/C16H23N5O/c1-13-11-16(4-7-17-13)20-8-5-15(6-9-20)21-12-14(18-19-21)3-2-10-22/h4,7,11-12,15,22H,2-3,5-6,8-10H2,1H3
InChIKeyTXRCSLMEPSPWCQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.75
Rot. Bonds5

About 3-[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-1-ol

3-[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-1-ol (PubChem CID 29026785) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-1-ol
PubChem CID29026785
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name3-[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-1-ol
SMILESCc1cc(N2CCC(n3cc(CCCO)nn3)CC2)ccn1
InChIInChI=1S/C16H23N5O/c1-13-11-16(4-7-17-13)20-8-5-15(6-9-20)21-12-14(18-19-21)3-2-10-22/h4,7,11-12,15,22H,2-3,5-6,8-10H2,1H3
InChIKeyTXRCSLMEPSPWCQ-UHFFFAOYSA-N
XLogP1.75
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-(3-methylbutyl)-4-{[1-(3-pyridinyl)-1H-pyrrol-2-yl]methyl}-2-piperazinyl)ethanol
CID 16191767
2-{4-{[1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1-[(6-methyl-2-pyridinyl)methyl]-2-piperazinyl}ethanol
CID 16191494
2-(1-isobutyl-4-{[1-(3-pyridinyl)-1H-pyrrol-2-yl]methyl}-2-piperazinyl)ethanol
CID 16189848
2-{1-[(6-methylpyridin-2-yl)methyl]-4-[3-(1H-pyrazol-1-yl)benzyl]piperazin-2-yl}ethanol
CID 16191917
2-(1-isopropyl-4-{[1-(3-pyridinyl)-1H-pyrrol-2-yl]methyl}-2-piperazinyl)ethanol
CID 16192159
2-{1-cyclopentyl-4-[(1-pyridin-3-yl-1H-pyrrol-2-yl)methyl]piperazin-2-yl}ethanol
CID 16187333
2-{1-cyclohexyl-4-[(1-pyridin-3-yl-1H-pyrrol-2-yl)methyl]piperazin-2-yl}ethanol
CID 16190054
2-{1-[(6-methyl-2-pyridinyl)methyl]-4-[4-(1H-pyrazol-1-yl)benzyl]-2-piperazinyl}ethanol
CID 16190918
[(2R)-1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 31044638
1-({1-[1-(2-methylpyridin-4-yl)piperidin-4-yl]-1H-1,2,3-triazol-4-yl}methyl)piperazine
CID 31125383
1-[4-[(4-Phenylpiperazin-1-yl)methyl]triazol-1-yl]hexan-2-ol
CID 46863385
3-methoxy-N-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46954061

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-1-ol?
The IUPAC name of 3-[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-1-ol (CID 29026785) is 3-[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-1-ol is Cc1cc(N2CCC(n3cc(CCCO)nn3)CC2)ccn1.
What is the InChIKey of 3-[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-1-ol?
The InChIKey is TXRCSLMEPSPWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-13-11-16(4-7-17-13)20-8-5-15(6-9-20)21-12-14(18-19-21)3-2-10-22/h4,7,11-12,15,22H,2-3,5-6,8-10H2,1H3.
What are the key properties of 3-[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-1-ol?
3-[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-1-ol has a molecular weight of 301.39 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-1-ol is sourced from PubChem (CID 29026785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).