4-[3-(3,4-dimethoxyphenyl)propyl]piperazin-1-amine

C15H25N3O2 — CID 82365911

IUPAC4-[3-(3,4-dimethoxyphenyl)propyl]piperazin-1-amine
SMILESCOc1ccc(CCCN2CCN(N)CC2)cc1OC
InChIInChI=1S/C15H25N3O2/c1-19-14-6-5-13(12-15(14)20-2)4-3-7-17-8-10-18(16)11-9-17/h5-6,12H,3-4,7-11,16H2,1-2H3
InChIKeyBDDDZRBOJNIGIV-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.13
Rot. Bonds6

About 4-[3-(3,4-dimethoxyphenyl)propyl]piperazin-1-amine

4-[3-(3,4-dimethoxyphenyl)propyl]piperazin-1-amine (PubChem CID 82365911) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[3-(3,4-dimethoxyphenyl)propyl]piperazin-1-amine.

Molecular Properties

Compound Name4-[3-(3,4-dimethoxyphenyl)propyl]piperazin-1-amine
PubChem CID82365911
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-[3-(3,4-dimethoxyphenyl)propyl]piperazin-1-amine
SMILESCOc1ccc(CCCN2CCN(N)CC2)cc1OC
InChIInChI=1S/C15H25N3O2/c1-19-14-6-5-13(12-15(14)20-2)4-3-7-17-8-10-18(16)11-9-17/h5-6,12H,3-4,7-11,16H2,1-2H3
InChIKeyBDDDZRBOJNIGIV-UHFFFAOYSA-N
XLogP1.13
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219
1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine
CID 174368866
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
1-[3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863506
1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine
CID 82160590
1-[3-(4-methoxy-3-propan-2-yloxyphenyl)propyl]piperazine
CID 82160589
4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
CID 170863583
4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine
CID 170869317
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine
CID 170862320
2-methoxy-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]aniline
CID 82071195
4-[3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]propyl]morpholine
CID 170870151

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dimethoxyphenyl)propyl]piperazin-1-amine?
The IUPAC name of 4-[3-(3,4-dimethoxyphenyl)propyl]piperazin-1-amine (CID 82365911) is 4-[3-(3,4-dimethoxyphenyl)propyl]piperazin-1-amine.
What is the SMILES notation for 4-[3-(3,4-dimethoxyphenyl)propyl]piperazin-1-amine?
The canonical SMILES for 4-[3-(3,4-dimethoxyphenyl)propyl]piperazin-1-amine is COc1ccc(CCCN2CCN(N)CC2)cc1OC.
What is the InChIKey of 4-[3-(3,4-dimethoxyphenyl)propyl]piperazin-1-amine?
The InChIKey is BDDDZRBOJNIGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-19-14-6-5-13(12-15(14)20-2)4-3-7-17-8-10-18(16)11-9-17/h5-6,12H,3-4,7-11,16H2,1-2H3.
What are the key properties of 4-[3-(3,4-dimethoxyphenyl)propyl]piperazin-1-amine?
4-[3-(3,4-dimethoxyphenyl)propyl]piperazin-1-amine has a molecular weight of 279.38 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dimethoxyphenyl)propyl]piperazin-1-amine is sourced from PubChem (CID 82365911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).