3-[(1-methylpiperidin-2-yl)methoxy]-N-propan-2-ylpropan-1-amine

C13H28N2O — CID 65469427

IUPAC3-[(1-methylpiperidin-2-yl)methoxy]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOCC1CCCCN1C
InChIInChI=1S/C13H28N2O/c1-12(2)14-8-6-10-16-11-13-7-4-5-9-15(13)3/h12-14H,4-11H2,1-3H3
InChIKeySHSHCBZEFZZUPD-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds7

About 3-[(1-methylpiperidin-2-yl)methoxy]-N-propan-2-ylpropan-1-amine

3-[(1-methylpiperidin-2-yl)methoxy]-N-propan-2-ylpropan-1-amine (PubChem CID 65469427) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-2-yl)methoxy]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[(1-methylpiperidin-2-yl)methoxy]-N-propan-2-ylpropan-1-amine
PubChem CID65469427
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-[(1-methylpiperidin-2-yl)methoxy]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOCC1CCCCN1C
InChIInChI=1S/C13H28N2O/c1-12(2)14-8-6-10-16-11-13-7-4-5-9-15(13)3/h12-14H,4-11H2,1-3H3
InChIKeySHSHCBZEFZZUPD-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(1-methylpiperidin-2-yl)methoxy]butan-1-amine
CID 65469045
2-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]propan-2-amine
CID 65467309
3-(cyclohexylmethoxy)-N-propan-2-ylpropan-1-amine
CID 62343201
3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid
CID 170367402
2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]ethanamine
CID 54091404
N-[[5-[(1-methylpiperidin-2-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine
CID 107559038
N-methyl-4-[(1-methylpiperidin-2-yl)methoxy]pentan-1-amine
CID 65467882
N-ethyl-4-[(1-methylpiperidin-2-yl)methoxy]pentan-1-amine
CID 65467693
4-[(1-methylpiperidin-2-yl)methoxy]-N-(2-methylpropyl)pentan-1-amine
CID 65469993
4-[(1-methylpiperidin-2-yl)methoxy]-N-propylpentan-1-amine
CID 65469240
N-methyl-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]propan-1-amine
CID 62459710
2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid
CID 92669710

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-2-yl)methoxy]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[(1-methylpiperidin-2-yl)methoxy]-N-propan-2-ylpropan-1-amine (CID 65469427) is 3-[(1-methylpiperidin-2-yl)methoxy]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[(1-methylpiperidin-2-yl)methoxy]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[(1-methylpiperidin-2-yl)methoxy]-N-propan-2-ylpropan-1-amine is CC(C)NCCCOCC1CCCCN1C.
What is the InChIKey of 3-[(1-methylpiperidin-2-yl)methoxy]-N-propan-2-ylpropan-1-amine?
The InChIKey is SHSHCBZEFZZUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(2)14-8-6-10-16-11-13-7-4-5-9-15(13)3/h12-14H,4-11H2,1-3H3.
What are the key properties of 3-[(1-methylpiperidin-2-yl)methoxy]-N-propan-2-ylpropan-1-amine?
3-[(1-methylpiperidin-2-yl)methoxy]-N-propan-2-ylpropan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-2-yl)methoxy]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 65469427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).