1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;prop-1-ene

C17H29N3O — CID 145237121

IUPAC1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;prop-1-ene
SMILESC=CC.COc1cc(N2CCC(N(C)C)CC2)ccc1N
InChIInChI=1S/C14H23N3O.C3H6/c1-16(2)11-6-8-17(9-7-11)12-4-5-13(15)14(10-12)18-3;1-3-2/h4-5,10-11H,6-9,15H2,1-3H3;3H,1H2,2H3
InChIKeyQOIOTMMWOLICRF-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.00
Rot. Bonds3

About 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;prop-1-ene

1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;prop-1-ene (PubChem CID 145237121) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;prop-1-ene.

Molecular Properties

Compound Name1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;prop-1-ene
PubChem CID145237121
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;prop-1-ene
SMILESC=CC.COc1cc(N2CCC(N(C)C)CC2)ccc1N
InChIInChI=1S/C14H23N3O.C3H6/c1-16(2)11-6-8-17(9-7-11)12-4-5-13(15)14(10-12)18-3;1-3-2/h4-5,10-11H,6-9,15H2,1-3H3;3H,1H2,2H3
InChIKeyQOIOTMMWOLICRF-UHFFFAOYSA-N
XLogP3.00
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 57416153
(3S)-1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 89285568
1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;1-(3-methoxy-4-nitrophenyl)-N,N-dimethylpiperidin-4-amine
CID 161181204
N'-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine;trihydrochloride
CID 142768667
1-(4-amino-3-methoxyphenyl)-4-methylpiperidin-3-ol
CID 102955530
1-(3-amino-4-methylphenyl)-N,N-dimethylpiperidin-4-amine
CID 55130361
1-(4-amino-3-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 77241165
1-(4-amino-3-methoxyphenyl)-N,N,4-trimethylpyrrolidin-3-amine
CID 81465021
1-(4-methoxy-3-nitrosophenyl)-N,N-dimethylpiperidin-4-amine
CID 167154013
4-(4-cyclohexylpiperazin-1-yl)-2-methoxyaniline
CID 58608385
1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-N-methylpiperidin-4-amine
CID 166656430
2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline;molecular hydrogen
CID 144787336

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;prop-1-ene?
The IUPAC name of 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;prop-1-ene (CID 145237121) is 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;prop-1-ene.
What is the SMILES notation for 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;prop-1-ene?
The canonical SMILES for 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;prop-1-ene is C=CC.COc1cc(N2CCC(N(C)C)CC2)ccc1N.
What is the InChIKey of 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;prop-1-ene?
The InChIKey is QOIOTMMWOLICRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O.C3H6/c1-16(2)11-6-8-17(9-7-11)12-4-5-13(15)14(10-12)18-3;1-3-2/h4-5,10-11H,6-9,15H2,1-3H3;3H,1H2,2H3.
What are the key properties of 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;prop-1-ene?
1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;prop-1-ene has a molecular weight of 291.44 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;prop-1-ene is sourced from PubChem (CID 145237121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).