2-methyl-4-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]pyridine

C18H28N2O — CID 110102930

IUPAC2-methyl-4-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]pyridine
SMILESCc1cc(CC2CCN(CC3CCOCC3)CC2)ccn1
InChIInChI=1S/C18H28N2O/c1-15-12-18(2-7-19-15)13-16-3-8-20(9-4-16)14-17-5-10-21-11-6-17/h2,7,12,16-17H,3-6,8-11,13-14H2,1H3
InChIKeyQBSQAQPPSIHNHA-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.07
Rot. Bonds4

About 2-methyl-4-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]pyridine

2-methyl-4-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]pyridine (PubChem CID 110102930) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-methyl-4-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]pyridine.

Molecular Properties

Compound Name2-methyl-4-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]pyridine
PubChem CID110102930
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-methyl-4-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]pyridine
SMILESCc1cc(CC2CCN(CC3CCOCC3)CC2)ccn1
InChIInChI=1S/C18H28N2O/c1-15-12-18(2-7-19-15)13-16-3-8-20(9-4-16)14-17-5-10-21-11-6-17/h2,7,12,16-17H,3-6,8-11,13-14H2,1H3
InChIKeyQBSQAQPPSIHNHA-UHFFFAOYSA-N
XLogP3.07
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]pyridine?
The IUPAC name of 2-methyl-4-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]pyridine (CID 110102930) is 2-methyl-4-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]pyridine.
What is the SMILES notation for 2-methyl-4-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]pyridine?
The canonical SMILES for 2-methyl-4-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]pyridine is Cc1cc(CC2CCN(CC3CCOCC3)CC2)ccn1.
What is the InChIKey of 2-methyl-4-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]pyridine?
The InChIKey is QBSQAQPPSIHNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15-12-18(2-7-19-15)13-16-3-8-20(9-4-16)14-17-5-10-21-11-6-17/h2,7,12,16-17H,3-6,8-11,13-14H2,1H3.
What are the key properties of 2-methyl-4-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]pyridine?
2-methyl-4-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]pyridine has a molecular weight of 288.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]pyridine is sourced from PubChem (CID 110102930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).