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

C13H28N2O — CID 103227164

IUPAC3-methoxy-N-methyl-2-(2-propylpiperidin-1-yl)propan-1-amine
SMILESCCCC1CCCCN1C(CNC)COC
InChIInChI=1S/C13H28N2O/c1-4-7-12-8-5-6-9-15(12)13(10-14-2)11-16-3/h12-14H,4-11H2,1-3H3
InChIKeyITBPXVMIKNAUFA-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds7

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

3-methoxy-N-methyl-2-(2-propylpiperidin-1-yl)propan-1-amine (PubChem CID 103227164) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-methoxy-N-methyl-2-(2-propylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-2-(2-propylpiperidin-1-yl)propan-1-amine
PubChem CID103227164
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-methoxy-N-methyl-2-(2-propylpiperidin-1-yl)propan-1-amine
SMILESCCCC1CCCCN1C(CNC)COC
InChIInChI=1S/C13H28N2O/c1-4-7-12-8-5-6-9-15(12)13(10-14-2)11-16-3/h12-14H,4-11H2,1-3H3
InChIKeyITBPXVMIKNAUFA-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

N-methyl-2-(2-propylpiperidin-1-yl)butan-1-amine
CID 83061692
3-methoxy-N-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine
CID 103225220
N-[2-(2-ethylazepan-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103227231
N-propyl-2-(2-propylpiperidin-1-yl)butan-1-amine
CID 83062092
N-[2-(2-ethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine
CID 103225163
1-methoxy-N-methyl-3-(2-propylpiperidin-1-yl)propan-2-amine
CID 107505926
2-(2,4-dimethylpiperidin-1-yl)-3-methoxy-N-methylpropan-1-amine
CID 103225963
2-[1-(1-methoxybutan-2-yl)piperidin-2-yl]acetic acid
CID 65063547
N-methyl-2-(2-methylpiperidin-1-yl)pentan-1-amine
CID 83043313
4-(2-ethylazepan-1-yl)-5-methoxypentan-1-amine
CID 103392020
1-methoxy-3-(2-propylpiperidin-1-yl)propan-2-amine
CID 83055953
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxy-N-propylpropan-1-amine
CID 103227390

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-2-(2-propylpiperidin-1-yl)propan-1-amine?
The IUPAC name of 3-methoxy-N-methyl-2-(2-propylpiperidin-1-yl)propan-1-amine (CID 103227164) is 3-methoxy-N-methyl-2-(2-propylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-methyl-2-(2-propylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for 3-methoxy-N-methyl-2-(2-propylpiperidin-1-yl)propan-1-amine is CCCC1CCCCN1C(CNC)COC.
What is the InChIKey of 3-methoxy-N-methyl-2-(2-propylpiperidin-1-yl)propan-1-amine?
The InChIKey is ITBPXVMIKNAUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-7-12-8-5-6-9-15(12)13(10-14-2)11-16-3/h12-14H,4-11H2,1-3H3.
What are the key properties of 3-methoxy-N-methyl-2-(2-propylpiperidin-1-yl)propan-1-amine?
3-methoxy-N-methyl-2-(2-propylpiperidin-1-yl)propan-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-methoxy-N-methyl-2-(2-propylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 103227164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).