[4-[(4-methoxyphenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol

C24H29N3O2 — CID 26329256

IUPAC[4-[(4-methoxyphenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol
SMILESCOc1ccc(CC2(CO)CCN(Cc3nc4ccccc4nc3C)CC2)cc1
InChIInChI=1S/C24H29N3O2/c1-18-23(26-22-6-4-3-5-21(22)25-18)16-27-13-11-24(17-28,12-14-27)15-19-7-9-20(29-2)10-8-19/h3-10,28H,11-17H2,1-2H3
InChIKeyPFNVHKBBOHGDTF-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.76
Rot. Bonds6

About [4-[(4-methoxyphenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol

[4-[(4-methoxyphenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol (PubChem CID 26329256) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol
PubChem CID26329256
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name[4-[(4-methoxyphenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol
SMILESCOc1ccc(CC2(CO)CCN(Cc3nc4ccccc4nc3C)CC2)cc1
InChIInChI=1S/C24H29N3O2/c1-18-23(26-22-6-4-3-5-21(22)25-18)16-27-13-11-24(17-28,12-14-27)15-19-7-9-20(29-2)10-8-19/h3-10,28H,11-17H2,1-2H3
InChIKeyPFNVHKBBOHGDTF-UHFFFAOYSA-N
XLogP3.76
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [4-[(4-methoxyphenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol (CID 26329256) is [4-[(4-methoxyphenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-[(4-methoxyphenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [4-[(4-methoxyphenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol is COc1ccc(CC2(CO)CCN(Cc3nc4ccccc4nc3C)CC2)cc1.
What is the InChIKey of [4-[(4-methoxyphenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is PFNVHKBBOHGDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18-23(26-22-6-4-3-5-21(22)25-18)16-27-13-11-24(17-28,12-14-27)15-19-7-9-20(29-2)10-8-19/h3-10,28H,11-17H2,1-2H3.
What are the key properties of [4-[(4-methoxyphenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol?
[4-[(4-methoxyphenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 391.52 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 26329256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).