[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol

C13H22N4O — CID 110912855

IUPAC[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol
SMILESCc1nnc(CN2CCC(CO)CC2)n1C1CC1
InChIInChI=1S/C13H22N4O/c1-10-14-15-13(17(10)12-2-3-12)8-16-6-4-11(9-18)5-7-16/h11-12,18H,2-9H2,1H3
InChIKeyYXCJAOAOKBTVHD-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.13
Rot. Bonds4

About [1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol

[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol (PubChem CID 110912855) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol
PubChem CID110912855
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol
SMILESCc1nnc(CN2CCC(CO)CC2)n1C1CC1
InChIInChI=1S/C13H22N4O/c1-10-14-15-13(17(10)12-2-3-12)8-16-6-4-11(9-18)5-7-16/h11-12,18H,2-9H2,1H3
InChIKeyYXCJAOAOKBTVHD-UHFFFAOYSA-N
XLogP1.13
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol (CID 110912855) is [1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol is Cc1nnc(CN2CCC(CO)CC2)n1C1CC1.
What is the InChIKey of [1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is YXCJAOAOKBTVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-14-15-13(17(10)12-2-3-12)8-16-6-4-11(9-18)5-7-16/h11-12,18H,2-9H2,1H3.
What are the key properties of [1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol?
[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 250.35 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 110912855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).