1-(4-methylpiperidin-4-yl)-4-(oxolan-2-yl)butan-1-one

C14H25NO2 — CID 116567709

IUPAC1-(4-methylpiperidin-4-yl)-4-(oxolan-2-yl)butan-1-one
SMILESCC1(C(=O)CCCC2CCCO2)CCNCC1
InChIInChI=1S/C14H25NO2/c1-14(7-9-15-10-8-14)13(16)6-2-4-12-5-3-11-17-12/h12,15H,2-11H2,1H3
InChIKeyFOOQVIORHPQSQD-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.29
Rot. Bonds5

About 1-(4-methylpiperidin-4-yl)-4-(oxolan-2-yl)butan-1-one

1-(4-methylpiperidin-4-yl)-4-(oxolan-2-yl)butan-1-one (PubChem CID 116567709) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(4-methylpiperidin-4-yl)-4-(oxolan-2-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperidin-4-yl)-4-(oxolan-2-yl)butan-1-one
PubChem CID116567709
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-(4-methylpiperidin-4-yl)-4-(oxolan-2-yl)butan-1-one
SMILESCC1(C(=O)CCCC2CCCO2)CCNCC1
InChIInChI=1S/C14H25NO2/c1-14(7-9-15-10-8-14)13(16)6-2-4-12-5-3-11-17-12/h12,15H,2-11H2,1H3
InChIKeyFOOQVIORHPQSQD-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 63122472
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-(oxolan-2-yl)butan-1-one
CID 116750015
3-[3-(oxolan-2-yl)propyl]pyrrolidin-3-ol
CID 65162228
3-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)propan-1-one
CID 106982059
N,4-dimethyl-N-(oxan-2-ylmethyl)piperidine-4-carboxamide
CID 55178326
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(oxolan-2-yl)propanamide
CID 120887184
1-(oxolan-2-yl)undecan-4-one
CID 114976697
5-[(2R)-oxolan-2-yl]pentanoic acid
CID 67391734
5-(oxolan-2-yl)pentanamide
CID 67128385
1-chloro-7-(oxolan-2-yl)heptan-4-one
CID 66044442
1-methylsulfonyl-5-(oxolan-2-yl)pentan-2-one
CID 115646806
3-[3-(oxolan-2-yl)propyl]piperidine-3-carboxylic acid
CID 65162206

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-4-yl)-4-(oxolan-2-yl)butan-1-one?
The IUPAC name of 1-(4-methylpiperidin-4-yl)-4-(oxolan-2-yl)butan-1-one (CID 116567709) is 1-(4-methylpiperidin-4-yl)-4-(oxolan-2-yl)butan-1-one.
What is the SMILES notation for 1-(4-methylpiperidin-4-yl)-4-(oxolan-2-yl)butan-1-one?
The canonical SMILES for 1-(4-methylpiperidin-4-yl)-4-(oxolan-2-yl)butan-1-one is CC1(C(=O)CCCC2CCCO2)CCNCC1.
What is the InChIKey of 1-(4-methylpiperidin-4-yl)-4-(oxolan-2-yl)butan-1-one?
The InChIKey is FOOQVIORHPQSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(7-9-15-10-8-14)13(16)6-2-4-12-5-3-11-17-12/h12,15H,2-11H2,1H3.
What are the key properties of 1-(4-methylpiperidin-4-yl)-4-(oxolan-2-yl)butan-1-one?
1-(4-methylpiperidin-4-yl)-4-(oxolan-2-yl)butan-1-one has a molecular weight of 239.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-4-yl)-4-(oxolan-2-yl)butan-1-one is sourced from PubChem (CID 116567709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).