1-(3-methoxyphenyl)-N,N-dimethyl-1-(1-methylpiperazin-2-yl)methanamine

C15H25N3O — CID 116910975

IUPAC1-(3-methoxyphenyl)-N,N-dimethyl-1-(1-methylpiperazin-2-yl)methanamine
SMILESCOc1cccc(C(C2CNCCN2C)N(C)C)c1
InChIInChI=1S/C15H25N3O/c1-17(2)15(14-11-16-8-9-18(14)3)12-6-5-7-13(10-12)19-4/h5-7,10,14-16H,8-9,11H2,1-4H3
InChIKeyOKFNQXSMVWTQHJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.20
Rot. Bonds4

About 1-(3-methoxyphenyl)-N,N-dimethyl-1-(1-methylpiperazin-2-yl)methanamine

1-(3-methoxyphenyl)-N,N-dimethyl-1-(1-methylpiperazin-2-yl)methanamine (PubChem CID 116910975) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N,N-dimethyl-1-(1-methylpiperazin-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N,N-dimethyl-1-(1-methylpiperazin-2-yl)methanamine
PubChem CID116910975
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(3-methoxyphenyl)-N,N-dimethyl-1-(1-methylpiperazin-2-yl)methanamine
SMILESCOc1cccc(C(C2CNCCN2C)N(C)C)c1
InChIInChI=1S/C15H25N3O/c1-17(2)15(14-11-16-8-9-18(14)3)12-6-5-7-13(10-12)19-4/h5-7,10,14-16H,8-9,11H2,1-4H3
InChIKeyOKFNQXSMVWTQHJ-UHFFFAOYSA-N
XLogP1.20
TPSA27.74 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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 116907348
2-(3-methoxyphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide
CID 83978037
(2,5-dimethoxyphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941249
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazine-2-carboxamide
CID 81133473
(3-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939833
N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]-N-methylbutan-1-amine
CID 82201727
cis-(1R,2R)-2-[dimethylamino-(3-methoxyphenyl)methyl]cyclohexan-1-ol;hydrochloride
CID 70600998
(3-methylphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941309
1-(3-methoxyphenyl)-2-[(2S)-2-methylpiperazin-1-yl]ethanol
CID 82755808
(3S)-3-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine
CID 95366455
1-[(R)-cyclopropyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286716
2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-piperidin-1-ylethanone
CID 83978057

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N,N-dimethyl-1-(1-methylpiperazin-2-yl)methanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N,N-dimethyl-1-(1-methylpiperazin-2-yl)methanamine (CID 116910975) is 1-(3-methoxyphenyl)-N,N-dimethyl-1-(1-methylpiperazin-2-yl)methanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N,N-dimethyl-1-(1-methylpiperazin-2-yl)methanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N,N-dimethyl-1-(1-methylpiperazin-2-yl)methanamine is COc1cccc(C(C2CNCCN2C)N(C)C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N,N-dimethyl-1-(1-methylpiperazin-2-yl)methanamine?
The InChIKey is OKFNQXSMVWTQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-17(2)15(14-11-16-8-9-18(14)3)12-6-5-7-13(10-12)19-4/h5-7,10,14-16H,8-9,11H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-N,N-dimethyl-1-(1-methylpiperazin-2-yl)methanamine?
1-(3-methoxyphenyl)-N,N-dimethyl-1-(1-methylpiperazin-2-yl)methanamine has a molecular weight of 263.38 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N,N-dimethyl-1-(1-methylpiperazin-2-yl)methanamine is sourced from PubChem (CID 116910975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).