2-[4-[[(1-propylpiperidin-4-yl)amino]methyl]triazol-1-yl]ethanol

C13H25N5O — CID 66269974

IUPAC2-[4-[[(1-propylpiperidin-4-yl)amino]methyl]triazol-1-yl]ethanol
SMILESCCCN1CCC(NCc2cn(CCO)nn2)CC1
InChIInChI=1S/C13H25N5O/c1-2-5-17-6-3-12(4-7-17)14-10-13-11-18(8-9-19)16-15-13/h11-12,14,19H,2-10H2,1H3
InChIKeyWCNPMESOZQRFGD-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.23
Rot. Bonds7

About 2-[4-[[(1-propylpiperidin-4-yl)amino]methyl]triazol-1-yl]ethanol

2-[4-[[(1-propylpiperidin-4-yl)amino]methyl]triazol-1-yl]ethanol (PubChem CID 66269974) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-[4-[[(1-propylpiperidin-4-yl)amino]methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(1-propylpiperidin-4-yl)amino]methyl]triazol-1-yl]ethanol
PubChem CID66269974
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-[4-[[(1-propylpiperidin-4-yl)amino]methyl]triazol-1-yl]ethanol
SMILESCCCN1CCC(NCc2cn(CCO)nn2)CC1
InChIInChI=1S/C13H25N5O/c1-2-5-17-6-3-12(4-7-17)14-10-13-11-18(8-9-19)16-15-13/h11-12,14,19H,2-10H2,1H3
InChIKeyWCNPMESOZQRFGD-UHFFFAOYSA-N
XLogP0.23
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1-propylpiperidin-4-yl)amino]methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[(1-propylpiperidin-4-yl)amino]methyl]triazol-1-yl]ethanol (CID 66269974) is 2-[4-[[(1-propylpiperidin-4-yl)amino]methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(1-propylpiperidin-4-yl)amino]methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(1-propylpiperidin-4-yl)amino]methyl]triazol-1-yl]ethanol is CCCN1CCC(NCc2cn(CCO)nn2)CC1.
What is the InChIKey of 2-[4-[[(1-propylpiperidin-4-yl)amino]methyl]triazol-1-yl]ethanol?
The InChIKey is WCNPMESOZQRFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-2-5-17-6-3-12(4-7-17)14-10-13-11-18(8-9-19)16-15-13/h11-12,14,19H,2-10H2,1H3.
What are the key properties of 2-[4-[[(1-propylpiperidin-4-yl)amino]methyl]triazol-1-yl]ethanol?
2-[4-[[(1-propylpiperidin-4-yl)amino]methyl]triazol-1-yl]ethanol has a molecular weight of 267.38 g/mol, XLogP of 0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1-propylpiperidin-4-yl)amino]methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66269974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).