(4-methylpiperidin-1-yl)-(oxan-4-yl)methanone

C12H21NO2 — CID 78803278

IUPAC(4-methylpiperidin-1-yl)-(oxan-4-yl)methanone
SMILESCC1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C12H21NO2/c1-10-2-6-13(7-3-10)12(14)11-4-8-15-9-5-11/h10-11H,2-9H2,1H3
InChIKeyPIICXJYKIJZEJN-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.67
Rot. Bonds1

About (4-methylpiperidin-1-yl)-(oxan-4-yl)methanone

(4-methylpiperidin-1-yl)-(oxan-4-yl)methanone (PubChem CID 78803278) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(oxan-4-yl)methanone
PubChem CID78803278
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(4-methylpiperidin-1-yl)-(oxan-4-yl)methanone
SMILESCC1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C12H21NO2/c1-10-2-6-13(7-3-10)12(14)11-4-8-15-9-5-11/h10-11H,2-9H2,1H3
InChIKeyPIICXJYKIJZEJN-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764611
[4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 112537685
(4-methylpiperidin-1-yl)-[2-(morpholine-4-carbonyl)cyclopropyl]methanone
CID 109132556
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146216
[3-(methylamino)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 81468978
oxan-4-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone
CID 167312068
[4-(2-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 121200652
4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493390
methyl 4-methylpiperidine-1-carboxylate;4-methyloxane
CID 90741122
[(3R)-3-methylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 81427826
1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 109146746
[4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 55115030

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(oxan-4-yl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(oxan-4-yl)methanone (CID 78803278) is (4-methylpiperidin-1-yl)-(oxan-4-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(oxan-4-yl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(oxan-4-yl)methanone is CC1CCN(C(=O)C2CCOCC2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(oxan-4-yl)methanone?
The InChIKey is PIICXJYKIJZEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10-2-6-13(7-3-10)12(14)11-4-8-15-9-5-11/h10-11H,2-9H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-(oxan-4-yl)methanone?
(4-methylpiperidin-1-yl)-(oxan-4-yl)methanone has a molecular weight of 211.30 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(oxan-4-yl)methanone is sourced from PubChem (CID 78803278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).