1-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylpiperidin-3-amine

C14H31N3O — CID 107505847

IUPAC1-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylpiperidin-3-amine
SMILESCCCNC(COC)CN1CCCC(N(C)C)C1
InChIInChI=1S/C14H31N3O/c1-5-8-15-13(12-18-4)10-17-9-6-7-14(11-17)16(2)3/h13-15H,5-12H2,1-4H3
InChIKeyLQJKVKUBTARNMW-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.03
Rot. Bonds8

About 1-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylpiperidin-3-amine

1-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylpiperidin-3-amine (PubChem CID 107505847) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylpiperidin-3-amine
PubChem CID107505847
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name1-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylpiperidin-3-amine
SMILESCCCNC(COC)CN1CCCC(N(C)C)C1
InChIInChI=1S/C14H31N3O/c1-5-8-15-13(12-18-4)10-17-9-6-7-14(11-17)16(2)3/h13-15H,5-12H2,1-4H3
InChIKeyLQJKVKUBTARNMW-UHFFFAOYSA-N
XLogP1.03
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-[3-methoxy-2-(propylamino)propyl]pyrrolidin-3-amine
CID 107505722
1-(4-cyclopentylpiperazin-1-yl)-3-methoxy-N-propylpropan-2-amine
CID 107505660
1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine
CID 106586522
N,N-dimethyl-1-[2-(propylamino)pentyl]piperidin-4-amine
CID 62043146
1-N-cyclobutyl-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505949
1-methoxy-N-propyl-3-(4-propylpiperidin-1-yl)propan-2-amine
CID 107505652
N-ethyl-1-(3-ethylpiperidin-1-yl)-3-methoxypropan-2-amine
CID 107505415
1-butoxy-3-[3-(dimethylamino)piperidin-1-yl]propan-2-ol
CID 107263914
1-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-propylpropane-1,2-diamine
CID 107505386
1-[2-cyclohexyl-2-(ethylamino)ethyl]-N,N-dimethylpiperidin-3-amine
CID 104746634
3-methoxy-1-N-methyl-1-N-(1-methylpiperidin-4-yl)-2-N-propylpropane-1,2-diamine
CID 107505276
1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine
CID 64569510

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylpiperidin-3-amine (CID 107505847) is 1-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylpiperidin-3-amine is CCCNC(COC)CN1CCCC(N(C)C)C1.
What is the InChIKey of 1-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is LQJKVKUBTARNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-5-8-15-13(12-18-4)10-17-9-6-7-14(11-17)16(2)3/h13-15H,5-12H2,1-4H3.
What are the key properties of 1-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylpiperidin-3-amine?
1-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 257.42 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 107505847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).