[2-(1-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone

C13H24N2O2 — CID 81330680

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)N2CCCCC2C(C)N)O1
InChIInChI=1S/C13H24N2O2/c1-9-6-7-12(17-9)13(16)15-8-4-3-5-11(15)10(2)14/h9-12H,3-8,14H2,1-2H3
InChIKeyXKHDNEAITKMEHR-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.28
Rot. Bonds2

About [2-(1-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone

[2-(1-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone (PubChem CID 81330680) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone
PubChem CID81330680
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)N2CCCCC2C(C)N)O1
InChIInChI=1S/C13H24N2O2/c1-9-6-7-12(17-9)13(16)15-8-4-3-5-11(15)10(2)14/h9-12H,3-8,14H2,1-2H3
InChIKeyXKHDNEAITKMEHR-UHFFFAOYSA-N
XLogP1.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81330585
[2-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
CID 119436103
2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]acetic acid
CID 81324861
1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 119434406
[2-(1-aminoethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79161243
azepan-1-yl-(5-methyloxolan-2-yl)methanone
CID 80949461
1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119434405
[(1R,3R)-3-aminocyclohexyl]-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]methanone
CID 129414979
2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]cyclopentan-1-one
CID 81329846
[2-(chloromethyl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81327806
1-[2-(1-aminoethyl)piperidin-1-yl]-3-ethylpentan-1-one;hydrochloride
CID 119435731
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(5-methyloxolan-2-yl)methanone
CID 71916803

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone (CID 81330680) is [2-(1-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone is CC1CCC(C(=O)N2CCCCC2C(C)N)O1.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone?
The InChIKey is XKHDNEAITKMEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9-6-7-12(17-9)13(16)15-8-4-3-5-11(15)10(2)14/h9-12H,3-8,14H2,1-2H3.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone?
[2-(1-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone is sourced from PubChem (CID 81330680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).