1-(3,4-dimethoxyphenyl)-2-piperidin-3-ylethanamine

C15H24N2O2 — CID 116936338

IUPAC1-(3,4-dimethoxyphenyl)-2-piperidin-3-ylethanamine
SMILESCOc1ccc(C(N)CC2CCCNC2)cc1OC
InChIInChI=1S/C15H24N2O2/c1-18-14-6-5-12(9-15(14)19-2)13(16)8-11-4-3-7-17-10-11/h5-6,9,11,13,17H,3-4,7-8,10,16H2,1-2H3
InChIKeyCRQQJTCGNXWJGL-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.09
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-2-piperidin-3-ylethanamine

1-(3,4-dimethoxyphenyl)-2-piperidin-3-ylethanamine (PubChem CID 116936338) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-piperidin-3-ylethanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-piperidin-3-ylethanamine
PubChem CID116936338
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(3,4-dimethoxyphenyl)-2-piperidin-3-ylethanamine
SMILESCOc1ccc(C(N)CC2CCCNC2)cc1OC
InChIInChI=1S/C15H24N2O2/c1-18-14-6-5-12(9-15(14)19-2)13(16)8-11-4-3-7-17-10-11/h5-6,9,11,13,17H,3-4,7-8,10,16H2,1-2H3
InChIKeyCRQQJTCGNXWJGL-UHFFFAOYSA-N
XLogP2.09
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 171199341
1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-3-ylethanamine
CID 116936357
1-(4-chlorophenyl)-2-piperidin-3-ylethanamine
CID 116936332
1-(4-chloro-3-methoxyphenyl)-2-cyclobutylethanamine
CID 103169066
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
(1S)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 94248825
2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 112693539
(2R)-2-(3,4-dimethoxyphenyl)-2-[(3R)-piperidin-3-yl]oxyacetamide
CID 99980737
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
[2-cyclobutyl-1-(3,4-dimethoxyphenyl)ethyl]hydrazine
CID 105192203
1-(4-fluorophenyl)-2-pyrrolidin-3-ylethanamine
CID 116936082
1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanamine
CID 116936143

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-piperidin-3-ylethanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-piperidin-3-ylethanamine (CID 116936338) is 1-(3,4-dimethoxyphenyl)-2-piperidin-3-ylethanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-piperidin-3-ylethanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-piperidin-3-ylethanamine is COc1ccc(C(N)CC2CCCNC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-piperidin-3-ylethanamine?
The InChIKey is CRQQJTCGNXWJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-18-14-6-5-12(9-15(14)19-2)13(16)8-11-4-3-7-17-10-11/h5-6,9,11,13,17H,3-4,7-8,10,16H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-piperidin-3-ylethanamine?
1-(3,4-dimethoxyphenyl)-2-piperidin-3-ylethanamine has a molecular weight of 264.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-piperidin-3-ylethanamine is sourced from PubChem (CID 116936338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).