[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol

C14H17N3O — CID 33370711

IUPAC[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol
SMILESOC[C@H]1CCCN(c2cnc3ccccc3n2)C1
InChIInChI=1S/C14H17N3O/c18-10-11-4-3-7-17(9-11)14-8-15-12-5-1-2-6-13(12)16-14/h1-2,5-6,8,11,18H,3-4,7,9-10H2/t11-/m0/s1
InChIKeyBRDKBSLQUHRFCQ-NSHDSACASA-N
MW243.31 g/mol
LogP1.84
Rot. Bonds2

About [(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol

[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol (PubChem CID 33370711) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol
PubChem CID33370711
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol
SMILESOC[C@H]1CCCN(c2cnc3ccccc3n2)C1
InChIInChI=1S/C14H17N3O/c18-10-11-4-3-7-17(9-11)14-8-15-12-5-1-2-6-13(12)16-14/h1-2,5-6,8,11,18H,3-4,7,9-10H2/t11-/m0/s1
InChIKeyBRDKBSLQUHRFCQ-NSHDSACASA-N
XLogP1.84
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-chloroethyl)piperidin-1-yl]quinoxaline
CID 63390007
4-[[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]morpholine
CID 95624715
2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinoxaline
CID 163353005
[1-[4-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]methanol
CID 61252810
2-[3-(bromomethyl)pyrrolidin-1-yl]quinoxaline
CID 80679052
2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]quinoxaline
CID 131918904
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoxaline
CID 98763151
2-(1-quinoxalin-2-ylpyrrolidin-3-yl)ethanamine
CID 114802420
tert-butyl N-methyl-N-[[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]carbamate
CID 51967498
(3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71643977
N-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide
CID 155975943
[1-[5-(hydroxymethyl)pyrazin-2-yl]piperidin-3-yl]methanol
CID 107372633

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol (CID 33370711) is [(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol is OC[C@H]1CCCN(c2cnc3ccccc3n2)C1.
What is the InChIKey of [(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol?
The InChIKey is BRDKBSLQUHRFCQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O/c18-10-11-4-3-7-17(9-11)14-8-15-12-5-1-2-6-13(12)16-14/h1-2,5-6,8,11,18H,3-4,7,9-10H2/t11-/m0/s1.
What are the key properties of [(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol?
[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol has a molecular weight of 243.31 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol is sourced from PubChem (CID 33370711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).