[1-(4-methylquinolin-2-yl)-4-(oxan-2-ylmethyl)piperidin-4-yl]methanol

C22H30N2O2 — CID 56744502

IUPAC[1-(4-methylquinolin-2-yl)-4-(oxan-2-ylmethyl)piperidin-4-yl]methanol
SMILESCc1cc(N2CCC(CO)(CC3CCCCO3)CC2)nc2ccccc12
InChIInChI=1S/C22H30N2O2/c1-17-14-21(23-20-8-3-2-7-19(17)20)24-11-9-22(16-25,10-12-24)15-18-6-4-5-13-26-18/h2-3,7-8,14,18,25H,4-6,9-13,15-16H2,1H3
InChIKeyKYFWAYKILJBYPV-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.08
Rot. Bonds4

About [1-(4-methylquinolin-2-yl)-4-(oxan-2-ylmethyl)piperidin-4-yl]methanol

[1-(4-methylquinolin-2-yl)-4-(oxan-2-ylmethyl)piperidin-4-yl]methanol (PubChem CID 56744502) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is [1-(4-methylquinolin-2-yl)-4-(oxan-2-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-methylquinolin-2-yl)-4-(oxan-2-ylmethyl)piperidin-4-yl]methanol
PubChem CID56744502
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name[1-(4-methylquinolin-2-yl)-4-(oxan-2-ylmethyl)piperidin-4-yl]methanol
SMILESCc1cc(N2CCC(CO)(CC3CCCCO3)CC2)nc2ccccc12
InChIInChI=1S/C22H30N2O2/c1-17-14-21(23-20-8-3-2-7-19(17)20)24-11-9-22(16-25,10-12-24)15-18-6-4-5-13-26-18/h2-3,7-8,14,18,25H,4-6,9-13,15-16H2,1H3
InChIKeyKYFWAYKILJBYPV-UHFFFAOYSA-N
XLogP4.08
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylquinolin-2-yl)-4-(oxan-2-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(4-methylquinolin-2-yl)-4-(oxan-2-ylmethyl)piperidin-4-yl]methanol (CID 56744502) is [1-(4-methylquinolin-2-yl)-4-(oxan-2-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(4-methylquinolin-2-yl)-4-(oxan-2-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(4-methylquinolin-2-yl)-4-(oxan-2-ylmethyl)piperidin-4-yl]methanol is Cc1cc(N2CCC(CO)(CC3CCCCO3)CC2)nc2ccccc12.
What is the InChIKey of [1-(4-methylquinolin-2-yl)-4-(oxan-2-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is KYFWAYKILJBYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-17-14-21(23-20-8-3-2-7-19(17)20)24-11-9-22(16-25,10-12-24)15-18-6-4-5-13-26-18/h2-3,7-8,14,18,25H,4-6,9-13,15-16H2,1H3.
What are the key properties of [1-(4-methylquinolin-2-yl)-4-(oxan-2-ylmethyl)piperidin-4-yl]methanol?
[1-(4-methylquinolin-2-yl)-4-(oxan-2-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 354.49 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylquinolin-2-yl)-4-(oxan-2-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 56744502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).