4-methoxy-4-methyl-2-(4-propylpiperazin-1-yl)pentan-1-amine

C14H31N3O — CID 106675511

IUPAC4-methoxy-4-methyl-2-(4-propylpiperazin-1-yl)pentan-1-amine
SMILESCCCN1CCN(C(CN)CC(C)(C)OC)CC1
InChIInChI=1S/C14H31N3O/c1-5-6-16-7-9-17(10-8-16)13(12-15)11-14(2,3)18-4/h13H,5-12,15H2,1-4H3
InChIKeyYJSCNCSKAHWUNY-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.16
Rot. Bonds7

About 4-methoxy-4-methyl-2-(4-propylpiperazin-1-yl)pentan-1-amine

4-methoxy-4-methyl-2-(4-propylpiperazin-1-yl)pentan-1-amine (PubChem CID 106675511) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-methoxy-4-methyl-2-(4-propylpiperazin-1-yl)pentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-2-(4-propylpiperazin-1-yl)pentan-1-amine
PubChem CID106675511
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name4-methoxy-4-methyl-2-(4-propylpiperazin-1-yl)pentan-1-amine
SMILESCCCN1CCN(C(CN)CC(C)(C)OC)CC1
InChIInChI=1S/C14H31N3O/c1-5-6-16-7-9-17(10-8-16)13(12-15)11-14(2,3)18-4/h13H,5-12,15H2,1-4H3
InChIKeyYJSCNCSKAHWUNY-UHFFFAOYSA-N
XLogP1.16
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methoxy-1-[3-(trifluoromethyl)piperidin-1-yl]butan-2-amine
CID 65536158
4-Methoxy-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine
CID 106675531
1,1,1-Trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-3-amine
CID 107390661
3,3,3-Trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine
CID 107390675
4,4,4-Trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)butan-2-amine
CID 107390803
(S)-2-methyl-1-piperazin-2-yl-propan-2-ol
CID 45099480
2-Methyl-1-piperazin-2-ylpropan-2-ol
CID 69212654
(2S)-4-methoxy-1-N,4-dimethylpentane-1,2-diamine
CID 88939090
1-(4-Methoxy-4-methylpentyl)-4-propylpiperazine
CID 89750831
(2S)-1-(4-methoxypiperidin-1-yl)-3-methylbutan-2-amine
CID 93289890
1-(5-Ethylpiperazin-2-yl)-2-methylpropan-2-ol
CID 123687719
1-(4-Methoxy-2,2,4-trimethylpentyl)piperazine
CID 123880515

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-2-(4-propylpiperazin-1-yl)pentan-1-amine?
The IUPAC name of 4-methoxy-4-methyl-2-(4-propylpiperazin-1-yl)pentan-1-amine (CID 106675511) is 4-methoxy-4-methyl-2-(4-propylpiperazin-1-yl)pentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methyl-2-(4-propylpiperazin-1-yl)pentan-1-amine?
The canonical SMILES for 4-methoxy-4-methyl-2-(4-propylpiperazin-1-yl)pentan-1-amine is CCCN1CCN(C(CN)CC(C)(C)OC)CC1.
What is the InChIKey of 4-methoxy-4-methyl-2-(4-propylpiperazin-1-yl)pentan-1-amine?
The InChIKey is YJSCNCSKAHWUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-5-6-16-7-9-17(10-8-16)13(12-15)11-14(2,3)18-4/h13H,5-12,15H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-2-(4-propylpiperazin-1-yl)pentan-1-amine?
4-methoxy-4-methyl-2-(4-propylpiperazin-1-yl)pentan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-2-(4-propylpiperazin-1-yl)pentan-1-amine is sourced from PubChem (CID 106675511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).