1-(1-methylpiperidin-3-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine

C14H28N2O — CID 54917113

IUPAC1-(1-methylpiperidin-3-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
SMILESCC(NCCC1CCCO1)C1CCCN(C)C1
InChIInChI=1S/C14H28N2O/c1-12(13-5-3-9-16(2)11-13)15-8-7-14-6-4-10-17-14/h12-15H,3-11H2,1-2H3
InChIKeyGZMDNSLMERFOIV-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds5

About 1-(1-methylpiperidin-3-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine

1-(1-methylpiperidin-3-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine (PubChem CID 54917113) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(1-methylpiperidin-3-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1-methylpiperidin-3-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
PubChem CID54917113
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(1-methylpiperidin-3-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
SMILESCC(NCCC1CCCO1)C1CCCN(C)C1
InChIInChI=1S/C14H28N2O/c1-12(13-5-3-9-16(2)11-13)15-8-7-14-6-4-10-17-14/h12-15H,3-11H2,1-2H3
InChIKeyGZMDNSLMERFOIV-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-cyclohexyl-N-[2-[(2S)-oxolan-2-yl]ethyl]ethanamine
CID 93468404
N-ethyl-1-[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]ethanamine
CID 65159249
4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine
CID 61044364
1-(1-methylpiperidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43308264
N-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81385044
N'-[1-(1-methylpiperidin-3-yl)ethyl]butane-1,4-diamine
CID 60896171
2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine
CID 64571082
N-[1-(1-methylpiperidin-3-yl)ethyl]hex-5-yn-1-amine
CID 103903615
(1S)-1-cyclohexyl-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81384591
N-[3-[1-(1-methylpiperidin-3-yl)ethylamino]propyl]methanesulfonamide
CID 103776667
N,N-dimethyl-2-[1-(1-methylpiperidin-3-yl)ethylamino]ethanesulfonamide
CID 106334875
3,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]butan-2-amine
CID 115708972

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-3-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(1-methylpiperidin-3-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine (CID 54917113) is 1-(1-methylpiperidin-3-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(1-methylpiperidin-3-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(1-methylpiperidin-3-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine is CC(NCCC1CCCO1)C1CCCN(C)C1.
What is the InChIKey of 1-(1-methylpiperidin-3-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The InChIKey is GZMDNSLMERFOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(13-5-3-9-16(2)11-13)15-8-7-14-6-4-10-17-14/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-(1-methylpiperidin-3-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine?
1-(1-methylpiperidin-3-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-3-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine is sourced from PubChem (CID 54917113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).