[3-(hydroxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone

C15H21N3O2 — CID 107356023

IUPAC[3-(hydroxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
SMILESO=C(C1CNc2ccccc2N1)N1CCCC(CO)C1
InChIInChI=1S/C15H21N3O2/c19-10-11-4-3-7-18(9-11)15(20)14-8-16-12-5-1-2-6-13(12)17-14/h1-2,5-6,11,14,16-17,19H,3-4,7-10H2
InChIKeyGUTOJTAOGWSOQQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.12
Rot. Bonds2

About [3-(hydroxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone

[3-(hydroxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone (PubChem CID 107356023) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is [3-(hydroxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
PubChem CID107356023
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name[3-(hydroxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
SMILESO=C(C1CNc2ccccc2N1)N1CCCC(CO)C1
InChIInChI=1S/C15H21N3O2/c19-10-11-4-3-7-18(9-11)15(20)14-8-16-12-5-1-2-6-13(12)17-14/h1-2,5-6,11,14,16-17,19H,3-4,7-10H2
InChIKeyGUTOJTAOGWSOQQ-UHFFFAOYSA-N
XLogP1.12
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone?
The IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone (CID 107356023) is [3-(hydroxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone?
The canonical SMILES for [3-(hydroxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone is O=C(C1CNc2ccccc2N1)N1CCCC(CO)C1.
What is the InChIKey of [3-(hydroxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone?
The InChIKey is GUTOJTAOGWSOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-10-11-4-3-7-18(9-11)15(20)14-8-16-12-5-1-2-6-13(12)17-14/h1-2,5-6,11,14,16-17,19H,3-4,7-10H2.
What are the key properties of [3-(hydroxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone?
[3-(hydroxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone has a molecular weight of 275.35 g/mol, XLogP of 1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone is sourced from PubChem (CID 107356023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).