1-methoxy-N-methyl-3-(2-propylpiperidin-1-yl)propan-2-amine

C13H28N2O — CID 107505926

IUPAC1-methoxy-N-methyl-3-(2-propylpiperidin-1-yl)propan-2-amine
SMILESCCCC1CCCCN1CC(COC)NC
InChIInChI=1S/C13H28N2O/c1-4-7-13-8-5-6-9-15(13)10-12(14-2)11-16-3/h12-14H,4-11H2,1-3H3
InChIKeyZMXOBMJGBCBBTA-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds7

About 1-methoxy-N-methyl-3-(2-propylpiperidin-1-yl)propan-2-amine

1-methoxy-N-methyl-3-(2-propylpiperidin-1-yl)propan-2-amine (PubChem CID 107505926) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-methoxy-N-methyl-3-(2-propylpiperidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-3-(2-propylpiperidin-1-yl)propan-2-amine
PubChem CID107505926
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-methoxy-N-methyl-3-(2-propylpiperidin-1-yl)propan-2-amine
SMILESCCCC1CCCCN1CC(COC)NC
InChIInChI=1S/C13H28N2O/c1-4-7-13-8-5-6-9-15(13)10-12(14-2)11-16-3/h12-14H,4-11H2,1-3H3
InChIKeyZMXOBMJGBCBBTA-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

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Related Compounds

1-methoxy-3-(2-propylpiperidin-1-yl)propan-2-amine
CID 83055953
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxy-N-methylpropan-2-amine
CID 107505972
N-methyl-6-(2-propylpiperidin-1-yl)hexan-3-amine
CID 106800080
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methoxy-N-methylpropan-2-amine
CID 107505825
2-methoxy-3-(2-propylpiperidin-1-yl)propan-1-amine
CID 106114983
3-methoxy-N-methyl-2-(2-propylpiperidin-1-yl)propan-1-amine
CID 103227164
2-methyl-3-(2-propylpiperidin-1-yl)propane-1-thiol
CID 83057094
1-(azepan-1-yl)-3-methoxy-N-methylpropan-2-amine
CID 107505254
N-ethyl-1-methoxy-3-(2-methylpiperidin-1-yl)propan-2-amine
CID 107505238
1-[1-(3-methoxy-2-methylpropyl)piperidin-2-yl]-N-methylmethanamine
CID 116502150
methyl 2-acetamido-3-(2-propylpiperidin-1-yl)propanoate
CID 83055490
N-(2-methoxyethyl)-4-(2-propylpiperidin-1-yl)butan-1-amine
CID 83061940

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-3-(2-propylpiperidin-1-yl)propan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-3-(2-propylpiperidin-1-yl)propan-2-amine (CID 107505926) is 1-methoxy-N-methyl-3-(2-propylpiperidin-1-yl)propan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-3-(2-propylpiperidin-1-yl)propan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-3-(2-propylpiperidin-1-yl)propan-2-amine is CCCC1CCCCN1CC(COC)NC.
What is the InChIKey of 1-methoxy-N-methyl-3-(2-propylpiperidin-1-yl)propan-2-amine?
The InChIKey is ZMXOBMJGBCBBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-7-13-8-5-6-9-15(13)10-12(14-2)11-16-3/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-methoxy-N-methyl-3-(2-propylpiperidin-1-yl)propan-2-amine?
1-methoxy-N-methyl-3-(2-propylpiperidin-1-yl)propan-2-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 1-methoxy-N-methyl-3-(2-propylpiperidin-1-yl)propan-2-amine is sourced from PubChem (CID 107505926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).