[4-(oxan-2-ylmethyl)-1-quinoxalin-2-ylpiperidin-4-yl]methanol

C20H27N3O2 — CID 56756950

IUPAC[4-(oxan-2-ylmethyl)-1-quinoxalin-2-ylpiperidin-4-yl]methanol
SMILESOCC1(CC2CCCCO2)CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C20H27N3O2/c24-15-20(13-16-5-3-4-12-25-16)8-10-23(11-9-20)19-14-21-17-6-1-2-7-18(17)22-19/h1-2,6-7,14,16,24H,3-5,8-13,15H2
InChIKeyKDWSAWCIYCOLHP-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.17
Rot. Bonds4

About [4-(oxan-2-ylmethyl)-1-quinoxalin-2-ylpiperidin-4-yl]methanol

[4-(oxan-2-ylmethyl)-1-quinoxalin-2-ylpiperidin-4-yl]methanol (PubChem CID 56756950) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is [4-(oxan-2-ylmethyl)-1-quinoxalin-2-ylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(oxan-2-ylmethyl)-1-quinoxalin-2-ylpiperidin-4-yl]methanol
PubChem CID56756950
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name[4-(oxan-2-ylmethyl)-1-quinoxalin-2-ylpiperidin-4-yl]methanol
SMILESOCC1(CC2CCCCO2)CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C20H27N3O2/c24-15-20(13-16-5-3-4-12-25-16)8-10-23(11-9-20)19-14-21-17-6-1-2-7-18(17)22-19/h1-2,6-7,14,16,24H,3-5,8-13,15H2
InChIKeyKDWSAWCIYCOLHP-UHFFFAOYSA-N
XLogP3.17
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(oxan-2-ylmethyl)-1-quinoxalin-2-ylpiperidin-4-yl]methanol?
The IUPAC name of [4-(oxan-2-ylmethyl)-1-quinoxalin-2-ylpiperidin-4-yl]methanol (CID 56756950) is [4-(oxan-2-ylmethyl)-1-quinoxalin-2-ylpiperidin-4-yl]methanol.
What is the SMILES notation for [4-(oxan-2-ylmethyl)-1-quinoxalin-2-ylpiperidin-4-yl]methanol?
The canonical SMILES for [4-(oxan-2-ylmethyl)-1-quinoxalin-2-ylpiperidin-4-yl]methanol is OCC1(CC2CCCCO2)CCN(c2cnc3ccccc3n2)CC1.
What is the InChIKey of [4-(oxan-2-ylmethyl)-1-quinoxalin-2-ylpiperidin-4-yl]methanol?
The InChIKey is KDWSAWCIYCOLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-15-20(13-16-5-3-4-12-25-16)8-10-23(11-9-20)19-14-21-17-6-1-2-7-18(17)22-19/h1-2,6-7,14,16,24H,3-5,8-13,15H2.
What are the key properties of [4-(oxan-2-ylmethyl)-1-quinoxalin-2-ylpiperidin-4-yl]methanol?
[4-(oxan-2-ylmethyl)-1-quinoxalin-2-ylpiperidin-4-yl]methanol has a molecular weight of 341.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxan-2-ylmethyl)-1-quinoxalin-2-ylpiperidin-4-yl]methanol is sourced from PubChem (CID 56756950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).