(3S,4R)-4-(hydroxymethyl)-1-[(5-phenyl-2H-triazol-4-yl)methyl]piperidin-3-ol

C15H20N4O2 — CID 155496897

IUPAC(3S,4R)-4-(hydroxymethyl)-1-[(5-phenyl-2H-triazol-4-yl)methyl]piperidin-3-ol
SMILESOC[C@H]1CCN(Cc2n[nH]nc2-c2ccccc2)C[C@H]1O
InChIInChI=1S/C15H20N4O2/c20-10-12-6-7-19(9-14(12)21)8-13-15(17-18-16-13)11-4-2-1-3-5-11/h1-5,12,14,20-21H,6-10H2,(H,16,17,18)/t12-,14-/m1/s1
InChIKeyLIRHCCAHEYQNHF-TZMCWYRMSA-N
MW288.35 g/mol
LogP0.65
Rot. Bonds4

About (3S,4R)-4-(hydroxymethyl)-1-[(5-phenyl-2H-triazol-4-yl)methyl]piperidin-3-ol

(3S,4R)-4-(hydroxymethyl)-1-[(5-phenyl-2H-triazol-4-yl)methyl]piperidin-3-ol (PubChem CID 155496897) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (3S,4R)-4-(hydroxymethyl)-1-[(5-phenyl-2H-triazol-4-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(hydroxymethyl)-1-[(5-phenyl-2H-triazol-4-yl)methyl]piperidin-3-ol
PubChem CID155496897
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(3S,4R)-4-(hydroxymethyl)-1-[(5-phenyl-2H-triazol-4-yl)methyl]piperidin-3-ol
SMILESOC[C@H]1CCN(Cc2n[nH]nc2-c2ccccc2)C[C@H]1O
InChIInChI=1S/C15H20N4O2/c20-10-12-6-7-19(9-14(12)21)8-13-15(17-18-16-13)11-4-2-1-3-5-11/h1-5,12,14,20-21H,6-10H2,(H,16,17,18)/t12-,14-/m1/s1
InChIKeyLIRHCCAHEYQNHF-TZMCWYRMSA-N
XLogP0.65
TPSA85.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(hydroxymethyl)-1-[(5-phenyl-2H-triazol-4-yl)methyl]piperidin-3-ol?
The IUPAC name of (3S,4R)-4-(hydroxymethyl)-1-[(5-phenyl-2H-triazol-4-yl)methyl]piperidin-3-ol (CID 155496897) is (3S,4R)-4-(hydroxymethyl)-1-[(5-phenyl-2H-triazol-4-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S,4R)-4-(hydroxymethyl)-1-[(5-phenyl-2H-triazol-4-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3S,4R)-4-(hydroxymethyl)-1-[(5-phenyl-2H-triazol-4-yl)methyl]piperidin-3-ol is OC[C@H]1CCN(Cc2n[nH]nc2-c2ccccc2)C[C@H]1O.
What is the InChIKey of (3S,4R)-4-(hydroxymethyl)-1-[(5-phenyl-2H-triazol-4-yl)methyl]piperidin-3-ol?
The InChIKey is LIRHCCAHEYQNHF-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H20N4O2/c20-10-12-6-7-19(9-14(12)21)8-13-15(17-18-16-13)11-4-2-1-3-5-11/h1-5,12,14,20-21H,6-10H2,(H,16,17,18)/t12-,14-/m1/s1.
What are the key properties of (3S,4R)-4-(hydroxymethyl)-1-[(5-phenyl-2H-triazol-4-yl)methyl]piperidin-3-ol?
(3S,4R)-4-(hydroxymethyl)-1-[(5-phenyl-2H-triazol-4-yl)methyl]piperidin-3-ol has a molecular weight of 288.35 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(hydroxymethyl)-1-[(5-phenyl-2H-triazol-4-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 155496897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).