[3-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone

C13H24N2O2 — CID 81330681

IUPAC[3-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)N2CCCC(CCN)C2)O1
InChIInChI=1S/C13H24N2O2/c1-10-4-5-12(17-10)13(16)15-8-2-3-11(9-15)6-7-14/h10-12H,2-9,14H2,1H3
InChIKeyGGHUSGJILWNFDM-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.14
Rot. Bonds3

About [3-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone

[3-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone (PubChem CID 81330681) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [3-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone
PubChem CID81330681
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[3-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)N2CCCC(CCN)C2)O1
InChIInChI=1S/C13H24N2O2/c1-10-4-5-12(17-10)13(16)15-8-2-3-11(9-15)6-7-14/h10-12H,2-9,14H2,1H3
InChIKeyGGHUSGJILWNFDM-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-aminoethyl)piperidin-1-yl]-cyclobutylmethanone
CID 63766706
(3S)-1-[(2S,5R)-5-methyloxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 124593337
azepan-1-yl-(5-methyloxolan-2-yl)methanone
CID 80949461
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpiperidin-1-yl)methanone
CID 120788294
(4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-2-yl)methanone
CID 114501395
[3-(2-aminoethyl)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone;hydrochloride
CID 120727386
[2-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81330585
methyl 1-(5-methyloxolane-2-carbonyl)piperidine-3-carboxylate
CID 81004933
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 120792916
1-[3-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 44784895
1-[3-(2-aminoethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 63766130
1-[3-(2-aminoethyl)piperidin-1-yl]but-2-en-1-one
CID 77015507

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone?
The IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone (CID 81330681) is [3-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone.
What is the SMILES notation for [3-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone?
The canonical SMILES for [3-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone is CC1CCC(C(=O)N2CCCC(CCN)C2)O1.
What is the InChIKey of [3-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone?
The InChIKey is GGHUSGJILWNFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-4-5-12(17-10)13(16)15-8-2-3-11(9-15)6-7-14/h10-12H,2-9,14H2,1H3.
What are the key properties of [3-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone?
[3-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone is sourced from PubChem (CID 81330681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).