3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine

C14H23N3O — CID 10467259

IUPAC3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
SMILESCOc1ccccc1N1CCN(CCCN)CC1
InChIInChI=1S/C14H23N3O/c1-18-14-6-3-2-5-13(14)17-11-9-16(10-12-17)8-4-7-15/h2-3,5-6H,4,7-12,15H2,1H3
InChIKeyOVGGXHMQXIQOBR-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.17
Rot. Bonds5

About 3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine

3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine (PubChem CID 10467259) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
PubChem CID10467259
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
SMILESCOc1ccccc1N1CCN(CCCN)CC1
InChIInChI=1S/C14H23N3O/c1-18-14-6-3-2-5-13(14)17-11-9-16(10-12-17)8-4-7-15/h2-3,5-6H,4,7-12,15H2,1H3
InChIKeyOVGGXHMQXIQOBR-UHFFFAOYSA-N
XLogP1.17
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-phenoxyphenyl)piperazin-1-yl]propan-1-amine
CID 21136388
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071
[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine
CID 139749924
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propan-1-amine
CID 21473467
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
1-amino-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 64819623
3-[4-(2-methoxy-4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-amine
CID 21473441
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butan-1-amine
CID 51357649
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine (CID 10467259) is 3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine is COc1ccccc1N1CCN(CCCN)CC1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine?
The InChIKey is OVGGXHMQXIQOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-18-14-6-3-2-5-13(14)17-11-9-16(10-12-17)8-4-7-15/h2-3,5-6H,4,7-12,15H2,1H3.
What are the key properties of 3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine?
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 10467259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).