1-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)piperidin-4-amine

C20H26N2O3 — CID 11552616

IUPAC1-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)piperidin-4-amine
SMILESCOc1cccc(C2CN(c3ccc(OC)c(OC)c3)CCC2N)c1
InChIInChI=1S/C20H26N2O3/c1-23-16-6-4-5-14(11-16)17-13-22(10-9-18(17)21)15-7-8-19(24-2)20(12-15)25-3/h4-8,11-12,17-18H,9-10,13,21H2,1-3H3
InChIKeyJIDSRABYUSVIKD-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.03
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)piperidin-4-amine

1-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)piperidin-4-amine (PubChem CID 11552616) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)piperidin-4-amine
PubChem CID11552616
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)piperidin-4-amine
SMILESCOc1cccc(C2CN(c3ccc(OC)c(OC)c3)CCC2N)c1
InChIInChI=1S/C20H26N2O3/c1-23-16-6-4-5-14(11-16)17-13-22(10-9-18(17)21)15-7-8-19(24-2)20(12-15)25-3/h4-8,11-12,17-18H,9-10,13,21H2,1-3H3
InChIKeyJIDSRABYUSVIKD-UHFFFAOYSA-N
XLogP3.03
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-Dimethoxy-N-(4-methoxyphenyl)benzylamine
CID 784220
Icmt-IN-1
CID 53388524
(2,3-Dimethoxybenzyl)[4-(1-piperidinyl)phenyl]amine
CID 834331
4-Benzyl-1-(4,5-dimethoxy-2-nitrobenzyl)piperidine
CID 1377125
4-benzyl-N-(3,4-dimethoxyphenyl)piperidine-1-carbothioamide
CID 2212069
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-[(4-fluoro-3-methoxyphenyl)methyl]piperazine
CID 56926585
4-[4-(dimethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-2(1H)-quinolinone
CID 2964923
1-[2-(1-Cyclohexylmethyl-piperidin-4-yl)-ethyl]-3-(3,4-dimethoxy-phenyl)-thiourea
CID 10454784
1-(3,4-Dimethoxyphenyl)-3-m-tolylpiperidin-4-amine
CID 11617492
5-(3,4-dimethoxy-N-methyl-anilino)-2-(3,4-dimethoxyphenyl)-2-isopropyl-pentanenitrile
CID 20187118
1-[3-(cyclohexylmethoxy)-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea
CID 71455721
N-(1-(2,3-dimethoxyphenyl)but-3-en-1-yl)aniline
CID 2772097

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)piperidin-4-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)piperidin-4-amine (CID 11552616) is 1-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)piperidin-4-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)piperidin-4-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)piperidin-4-amine is COc1cccc(C2CN(c3ccc(OC)c(OC)c3)CCC2N)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)piperidin-4-amine?
The InChIKey is JIDSRABYUSVIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-23-16-6-4-5-14(11-16)17-13-22(10-9-18(17)21)15-7-8-19(24-2)20(12-15)25-3/h4-8,11-12,17-18H,9-10,13,21H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)piperidin-4-amine?
1-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)piperidin-4-amine has a molecular weight of 342.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 11552616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).