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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Related Compounds

4-methyl-2-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 110103697
2-(2-methylimidazol-1-yl)-1-[4-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 110102963
2-methyl-4-[[(3R)-piperidin-3-yl]methyl]pyridine
CID 139490801
4-(oxan-4-ylmethyl)morpholine
CID 122244931
4-methyl-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 133335978
4-methyl-N-[[(3R)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95139063
[1-(oxan-4-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride
CID 53256412
4-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]morpholine
CID 77091868
4-benzyl-1-(cyclopentylmethyl)piperidine
CID 82089376
N,N,4-trimethyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyrimidin-2-amine
CID 165431760
4-tert-butyl-1-(oxan-4-ylmethyl)piperidine
CID 59743823
2-methyl-4-[4-(oxan-4-ylmethyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine
CID 165432124

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).