1-methoxy-N-propyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine

C15H32N2O — CID 107505960

IUPAC1-methoxy-N-propyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine
SMILESCCCNC(COC)CN1CC(C)CC(C)C1C
InChIInChI=1S/C15H32N2O/c1-6-7-16-15(11-18-5)10-17-9-12(2)8-13(3)14(17)4/h12-16H,6-11H2,1-5H3
InChIKeyQLMJXELESCWDOM-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.37
Rot. Bonds7

About 1-methoxy-N-propyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine

1-methoxy-N-propyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine (PubChem CID 107505960) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-methoxy-N-propyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-propyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine
PubChem CID107505960
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-methoxy-N-propyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine
SMILESCCCNC(COC)CN1CC(C)CC(C)C1C
InChIInChI=1S/C15H32N2O/c1-6-7-16-15(11-18-5)10-17-9-12(2)8-13(3)14(17)4/h12-16H,6-11H2,1-5H3
InChIKeyQLMJXELESCWDOM-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-propyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine
CID 114592822
1-methoxy-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine
CID 114593853
1-(2,4-dimethyl-1,4-diazepan-1-yl)-3-methoxy-N-propylpropan-2-amine
CID 114086627
4-methoxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine
CID 114593868
1-(3,5-dimethylpiperidin-1-yl)-N-propylpentan-2-amine
CID 62042262
5-ethyl-2-[3-methoxy-2-(propylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 107506475
1-methoxy-3-(3-methylcyclohexyl)oxy-N-propylpropan-2-amine
CID 107506735
2-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanenitrile
CID 114596282
ethyl 2-amino-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
CID 114596345
N,N-diethyl-1-[3-methoxy-2-(propylamino)propyl]pyrrolidin-3-amine
CID 107505722
1-methoxy-N-propyl-3-(4-propylpiperidin-1-yl)propan-2-amine
CID 107505652
1-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylpiperidin-3-amine
CID 107505847

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-propyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine?
The IUPAC name of 1-methoxy-N-propyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine (CID 107505960) is 1-methoxy-N-propyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine.
What is the SMILES notation for 1-methoxy-N-propyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine?
The canonical SMILES for 1-methoxy-N-propyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine is CCCNC(COC)CN1CC(C)CC(C)C1C.
What is the InChIKey of 1-methoxy-N-propyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine?
The InChIKey is QLMJXELESCWDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-6-7-16-15(11-18-5)10-17-9-12(2)8-13(3)14(17)4/h12-16H,6-11H2,1-5H3.
What are the key properties of 1-methoxy-N-propyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine?
1-methoxy-N-propyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine has a molecular weight of 256.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-propyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine is sourced from PubChem (CID 107505960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).