2-[3-(methoxymethyl)piperidin-1-yl]-N-methylbutan-1-amine

C12H26N2O — CID 106589339

IUPAC2-[3-(methoxymethyl)piperidin-1-yl]-N-methylbutan-1-amine
SMILESCCC(CNC)N1CCCC(COC)C1
InChIInChI=1S/C12H26N2O/c1-4-12(8-13-2)14-7-5-6-11(9-14)10-15-3/h11-13H,4-10H2,1-3H3
InChIKeyANMSMYBTDSAWDQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds6

About 2-[3-(methoxymethyl)piperidin-1-yl]-N-methylbutan-1-amine

2-[3-(methoxymethyl)piperidin-1-yl]-N-methylbutan-1-amine (PubChem CID 106589339) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)piperidin-1-yl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)piperidin-1-yl]-N-methylbutan-1-amine
PubChem CID106589339
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-[3-(methoxymethyl)piperidin-1-yl]-N-methylbutan-1-amine
SMILESCCC(CNC)N1CCCC(COC)C1
InChIInChI=1S/C12H26N2O/c1-4-12(8-13-2)14-7-5-6-11(9-14)10-15-3/h11-13H,4-10H2,1-3H3
InChIKeyANMSMYBTDSAWDQ-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 106589294
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488
N-ethyl-2-(3-ethylpiperidin-1-yl)butan-1-amine
CID 62433974
N-ethyl-2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-amine
CID 106586663
methanol;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 172576332
(2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid
CID 129414278
2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpentan-1-amine
CID 83055159
N-[2-[3-(methoxymethyl)piperidin-1-yl]propyl]-2-methylpropan-1-amine
CID 106589290
1-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 103810683
2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-one
CID 106587759
(2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid
CID 129413747
4-amino-N,N-diethyl-3-[3-(methoxymethyl)piperidin-1-yl]butanamide
CID 106586452

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-N-methylbutan-1-amine?
The IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-N-methylbutan-1-amine (CID 106589339) is 2-[3-(methoxymethyl)piperidin-1-yl]-N-methylbutan-1-amine.
What is the SMILES notation for 2-[3-(methoxymethyl)piperidin-1-yl]-N-methylbutan-1-amine?
The canonical SMILES for 2-[3-(methoxymethyl)piperidin-1-yl]-N-methylbutan-1-amine is CCC(CNC)N1CCCC(COC)C1.
What is the InChIKey of 2-[3-(methoxymethyl)piperidin-1-yl]-N-methylbutan-1-amine?
The InChIKey is ANMSMYBTDSAWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-12(8-13-2)14-7-5-6-11(9-14)10-15-3/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-[3-(methoxymethyl)piperidin-1-yl]-N-methylbutan-1-amine?
2-[3-(methoxymethyl)piperidin-1-yl]-N-methylbutan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)piperidin-1-yl]-N-methylbutan-1-amine is sourced from PubChem (CID 106589339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).