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

C15H25N3O — CID 9161464

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCOc1ccc(N2CCN(C(C)(C)CN)CC2)cc1
InChIInChI=1S/C15H25N3O/c1-15(2,12-16)18-10-8-17(9-11-18)13-4-6-14(19-3)7-5-13/h4-7H,8-12,16H2,1-3H3
InChIKeyKSDGFWRHXNDQNK-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.55
Rot. Bonds4

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

2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-amine (PubChem CID 9161464) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-amine
PubChem CID9161464
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCOc1ccc(N2CCN(C(C)(C)CN)CC2)cc1
InChIInChI=1S/C15H25N3O/c1-15(2,12-16)18-10-8-17(9-11-18)13-4-6-14(19-3)7-5-13/h4-7H,8-12,16H2,1-3H3
InChIKeyKSDGFWRHXNDQNK-UHFFFAOYSA-N
XLogP1.55
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 43135337
2-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
CID 63339792
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 63341043
2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine
CID 115354832
2-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 63591622
2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine
CID 24695476
1-(4-methoxyphenyl)-4-sulfanylpiperazine;propane
CID 142914389
1-(4-methoxyphenyl)piperidine
CID 10130315
2-tert-butylsulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 78775432
2-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
CID 16642461
4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride
CID 68547015
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-amine?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-amine (CID 9161464) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-amine is COc1ccc(N2CCN(C(C)(C)CN)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-amine?
The InChIKey is KSDGFWRHXNDQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2,12-16)18-10-8-17(9-11-18)13-4-6-14(19-3)7-5-13/h4-7H,8-12,16H2,1-3H3.
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-amine?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 9161464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).