N-[(2,3-dimethoxyphenyl)methyl]-4-piperidin-1-ylaniline

C20H26N2O2 — CID 834331

IUPACN-[(2,3-dimethoxyphenyl)methyl]-4-piperidin-1-ylaniline
SMILESCOc1cccc(CNc2ccc(N3CCCCC3)cc2)c1OC
InChIInChI=1S/C20H26N2O2/c1-23-19-8-6-7-16(20(19)24-2)15-21-17-9-11-18(12-10-17)22-13-4-3-5-14-22/h6-12,21H,3-5,13-15H2,1-2H3
InChIKeyHYQDZOJHGOMQRZ-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.31
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)methyl]-4-piperidin-1-ylaniline

N-[(2,3-dimethoxyphenyl)methyl]-4-piperidin-1-ylaniline (PubChem CID 834331) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-4-piperidin-1-ylaniline.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-4-piperidin-1-ylaniline
PubChem CID834331
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-4-piperidin-1-ylaniline
SMILESCOc1cccc(CNc2ccc(N3CCCCC3)cc2)c1OC
InChIInChI=1S/C20H26N2O2/c1-23-19-8-6-7-16(20(19)24-2)15-21-17-9-11-18(12-10-17)22-13-4-3-5-14-22/h6-12,21H,3-5,13-15H2,1-2H3
InChIKeyHYQDZOJHGOMQRZ-UHFFFAOYSA-N
XLogP4.31
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3,4-Dimethoxy-N-(4-methoxyphenyl)benzylamine
CID 784220
(5-Dimethylamino-2-methoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 22879211
1-[(2,3-Dimethoxyphenyl)methyl]piperazine
CID 771965
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline
CID 892164
2-(2,3-Dimethoxyphenyl)-1,3-diphenylimidazolidine
CID 1106964
2-Methoxy-6-({[3-(trifluoromethyl)phenyl]amino}methyl)phenol
CID 3397882
(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-[2-(4-phenyl-piperazin-1-yl)-ethyl]-amine
CID 10522878
(2,3-Dimethoxybenzyl)(2-methoxy-5-methylphenyl)amine
CID 775256
1-[2-(2-Methoxyphenyl)phenyl]piperazine
CID 18663036
N-[1-(2,3-dimethoxyphenyl)but-3-enyl]aniline
CID 2772097
N-(3-Chloro-P-tolyl)-2,3-dimethoxybenzylamine
CID 293369
1-[3-(2-Methoxyphenyl)-2-propen-1-yl]-4-phenylpiperazine
CID 783076

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-4-piperidin-1-ylaniline?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-4-piperidin-1-ylaniline (CID 834331) is N-[(2,3-dimethoxyphenyl)methyl]-4-piperidin-1-ylaniline.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-4-piperidin-1-ylaniline?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-4-piperidin-1-ylaniline is COc1cccc(CNc2ccc(N3CCCCC3)cc2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-4-piperidin-1-ylaniline?
The InChIKey is HYQDZOJHGOMQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-23-19-8-6-7-16(20(19)24-2)15-21-17-9-11-18(12-10-17)22-13-4-3-5-14-22/h6-12,21H,3-5,13-15H2,1-2H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-4-piperidin-1-ylaniline?
N-[(2,3-dimethoxyphenyl)methyl]-4-piperidin-1-ylaniline has a molecular weight of 326.44 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-4-piperidin-1-ylaniline is sourced from PubChem (CID 834331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).