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

C13H26N2O — CID 62654881

IUPACN-[(1-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NCC1CCCN(C)C1)C1CCCO1
InChIInChI=1S/C13H26N2O/c1-11(13-6-4-8-16-13)14-9-12-5-3-7-15(2)10-12/h11-14H,3-10H2,1-2H3
InChIKeyQYZRBZHJMVXFMN-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds4

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

N-[(1-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 62654881) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[(1-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
PubChem CID62654881
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[(1-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NCC1CCCN(C)C1)C1CCCO1
InChIInChI=1S/C13H26N2O/c1-11(13-6-4-8-16-13)14-9-12-5-3-7-15(2)10-12/h11-14H,3-10H2,1-2H3
InChIKeyQYZRBZHJMVXFMN-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 79183686
(2S)-2-[(1-methylpiperidin-3-yl)methylamino]butan-1-ol
CID 104980416
N-(cyclohex-3-en-1-ylmethyl)-1-(oxolan-2-yl)ethanamine
CID 43208618
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62575881
1-N,1-N-dimethyl-3-N-[(1-methylpiperidin-3-yl)methyl]butane-1,3-diamine
CID 62658319
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(oxolan-2-yl)ethanamine
CID 102896845
N-[[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methyl]propan-2-amine
CID 65161095
1-(oxolan-2-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106633061
(1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine
CID 81350574
N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 63620007
(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81403787
1-(1-methylpiperidin-3-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 54917113

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)ethanamine (CID 62654881) is N-[(1-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[(1-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[(1-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)ethanamine is CC(NCC1CCCN(C)C1)C1CCCO1.
What is the InChIKey of N-[(1-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is QYZRBZHJMVXFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(13-6-4-8-16-13)14-9-12-5-3-7-15(2)10-12/h11-14H,3-10H2,1-2H3.
What are the key properties of N-[(1-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)ethanamine?
N-[(1-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 62654881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).