3-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propan-1-amine

C16H26N2O2 — CID 117446608

IUPAC3-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propan-1-amine
SMILESCOc1cc(N2CCCCC2)c(OC)cc1CCCN
InChIInChI=1S/C16H26N2O2/c1-19-15-12-14(18-9-4-3-5-10-18)16(20-2)11-13(15)7-6-8-17/h11-12H,3-10,17H2,1-2H3
InChIKeyYTZHDXRALUOULF-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.59
Rot. Bonds6

About 3-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propan-1-amine

3-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propan-1-amine (PubChem CID 117446608) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propan-1-amine
PubChem CID117446608
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propan-1-amine
SMILESCOc1cc(N2CCCCC2)c(OC)cc1CCCN
InChIInChI=1S/C16H26N2O2/c1-19-15-12-14(18-9-4-3-5-10-18)16(20-2)11-13(15)7-6-8-17/h11-12H,3-10,17H2,1-2H3
InChIKeyYTZHDXRALUOULF-UHFFFAOYSA-N
XLogP2.59
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dimethoxy-4-piperidin-1-ylphenyl)butanoic acid
CID 117492352
2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol
CID 117381555
2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methylethanamine
CID 117415704
3-(3-methoxy-4-pyrrolidin-1-ylphenyl)propan-1-amine
CID 170867943
2-[2,5-dimethoxy-4-(1,3-thiazolidin-3-yl)phenyl]ethanamine
CID 171534609
1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methoxymethanamine
CID 117420098
2-(4-imidazolidin-1-yl-2,5-dimethoxyphenyl)ethanamine
CID 171534506
3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine
CID 176899183
[1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)cyclopropyl]methanamine
CID 117469339
4,5-dimethoxy-2-piperidin-1-ylaniline
CID 616846
2-(azepan-1-yl)-5-fluoro-4-methoxyaniline
CID 55215490
3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine
CID 171474993

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propan-1-amine?
The IUPAC name of 3-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propan-1-amine (CID 117446608) is 3-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propan-1-amine?
The canonical SMILES for 3-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propan-1-amine is COc1cc(N2CCCCC2)c(OC)cc1CCCN.
What is the InChIKey of 3-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propan-1-amine?
The InChIKey is YTZHDXRALUOULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-19-15-12-14(18-9-4-3-5-10-18)16(20-2)11-13(15)7-6-8-17/h11-12H,3-10,17H2,1-2H3.
What are the key properties of 3-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propan-1-amine?
3-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propan-1-amine is sourced from PubChem (CID 117446608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).