[2-(aminomethyl)oxolan-2-yl]-(4-methylpiperidin-1-yl)methanone

C12H22N2O2 — CID 167756887

IUPAC[2-(aminomethyl)oxolan-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2(CN)CCCO2)CC1
InChIInChI=1S/C12H22N2O2/c1-10-3-6-14(7-4-10)11(15)12(9-13)5-2-8-16-12/h10H,2-9,13H2,1H3
InChIKeyKDGAJDPROZGKFK-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.75
Rot. Bonds2

About [2-(aminomethyl)oxolan-2-yl]-(4-methylpiperidin-1-yl)methanone

[2-(aminomethyl)oxolan-2-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 167756887) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [2-(aminomethyl)oxolan-2-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)oxolan-2-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID167756887
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[2-(aminomethyl)oxolan-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2(CN)CCCO2)CC1
InChIInChI=1S/C12H22N2O2/c1-10-3-6-14(7-4-10)11(15)12(9-13)5-2-8-16-12/h10H,2-9,13H2,1H3
InChIKeyKDGAJDPROZGKFK-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)-4-methylcyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 113310414
(4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 115293431
N-[1-(aminomethyl)-4-methylcyclohexyl]-N,4-dimethylpiperidine-1-carboxamide
CID 79160492
(3-aminooxolan-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 64891679
N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 76920953
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxypiperidin-1-yl)methanone
CID 115441480
2-(aminomethyl)-3-methyl-1-(4-methylazepan-1-yl)butan-1-one
CID 63622833
(4-methylpiperidin-1-yl)-(3-propan-2-yloxetan-3-yl)methanone
CID 166255969
[1-(aminomethyl)-4-methylcyclohexyl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 115442204
[1-(aminomethyl)-3-methylcyclobutyl]-(4,4-dimethylpiperidin-1-yl)methanone
CID 80587278
[1-(aminomethyl)-4-methylcyclohexyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82015373
1-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]piperidine-3-carboxylic acid
CID 115441831

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)oxolan-2-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(aminomethyl)oxolan-2-yl]-(4-methylpiperidin-1-yl)methanone (CID 167756887) is [2-(aminomethyl)oxolan-2-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)oxolan-2-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(aminomethyl)oxolan-2-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2(CN)CCCO2)CC1.
What is the InChIKey of [2-(aminomethyl)oxolan-2-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is KDGAJDPROZGKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10-3-6-14(7-4-10)11(15)12(9-13)5-2-8-16-12/h10H,2-9,13H2,1H3.
What are the key properties of [2-(aminomethyl)oxolan-2-yl]-(4-methylpiperidin-1-yl)methanone?
[2-(aminomethyl)oxolan-2-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 226.32 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)oxolan-2-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 167756887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).