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

C13H24N2O2 — CID 81330585

IUPAC[2-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)N2CCCCC2CCN)O1
InChIInChI=1S/C13H24N2O2/c1-10-5-6-12(17-10)13(16)15-9-3-2-4-11(15)7-8-14/h10-12H,2-9,14H2,1H3
InChIKeyLTPVOLWXNWUJGQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.28
Rot. Bonds3

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

[2-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone (PubChem CID 81330585) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [2-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone
PubChem CID81330585
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[2-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)N2CCCCC2CCN)O1
InChIInChI=1S/C13H24N2O2/c1-10-5-6-12(17-10)13(16)15-9-3-2-4-11(15)7-8-14/h10-12H,2-9,14H2,1H3
InChIKeyLTPVOLWXNWUJGQ-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]acetic acid
CID 81324861
[2-(chloromethyl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81327806
[2-(2-aminoethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63755194
[2-(1-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81330680
[3-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81330681
1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 63755741
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylpropyl)piperidin-1-yl]methanone;hydrochloride
CID 120794811
1-[2-(2-aminoethyl)piperidin-1-yl]butan-1-one
CID 63754291
azepan-1-yl-(5-methyloxolan-2-yl)methanone
CID 80949461
[2-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone
CID 80596527
2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]cyclopentan-1-one
CID 81329846
1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-difluoroethanone
CID 103840913

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone?
The IUPAC name of [2-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone (CID 81330585) is [2-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone.
What is the SMILES notation for [2-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone?
The canonical SMILES for [2-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone is CC1CCC(C(=O)N2CCCCC2CCN)O1.
What is the InChIKey of [2-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone?
The InChIKey is LTPVOLWXNWUJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-5-6-12(17-10)13(16)15-9-3-2-4-11(15)7-8-14/h10-12H,2-9,14H2,1H3.
What are the key properties of [2-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone?
[2-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone is sourced from PubChem (CID 81330585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).