[(2S)-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-2-yl]methanol

C10H18N4O — CID 95120020

IUPAC[(2S)-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-2-yl]methanol
SMILESOC[C@@H]1CCCCN1CCn1cnnc1
InChIInChI=1S/C10H18N4O/c15-7-10-3-1-2-4-14(10)6-5-13-8-11-12-9-13/h8-10,15H,1-7H2/t10-/m0/s1
InChIKeyCYWUKYZRYPSRGF-JTQLQIEISA-N
MW210.28 g/mol
LogP0.12
Rot. Bonds4

About [(2S)-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-2-yl]methanol

[(2S)-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-2-yl]methanol (PubChem CID 95120020) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is [(2S)-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-2-yl]methanol
PubChem CID95120020
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name[(2S)-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-2-yl]methanol
SMILESOC[C@@H]1CCCCN1CCn1cnnc1
InChIInChI=1S/C10H18N4O/c15-7-10-3-1-2-4-14(10)6-5-13-8-11-12-9-13/h8-10,15H,1-7H2/t10-/m0/s1
InChIKeyCYWUKYZRYPSRGF-JTQLQIEISA-N
XLogP0.12
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-2-yl]methanol (CID 95120020) is [(2S)-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-2-yl]methanol is OC[C@@H]1CCCCN1CCn1cnnc1.
What is the InChIKey of [(2S)-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-2-yl]methanol?
The InChIKey is CYWUKYZRYPSRGF-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18N4O/c15-7-10-3-1-2-4-14(10)6-5-13-8-11-12-9-13/h8-10,15H,1-7H2/t10-/m0/s1.
What are the key properties of [(2S)-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-2-yl]methanol?
[(2S)-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-2-yl]methanol has a molecular weight of 210.28 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 95120020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).