3-(2,5-dimethoxyphenyl)piperidin-4-amine

C13H20N2O2 — CID 82621034

IUPAC3-(2,5-dimethoxyphenyl)piperidin-4-amine
SMILESCOc1ccc(OC)c(C2CNCCC2N)c1
InChIInChI=1S/C13H20N2O2/c1-16-9-3-4-13(17-2)10(7-9)11-8-15-6-5-12(11)14/h3-4,7,11-12,15H,5-6,8,14H2,1-2H3
InChIKeyKITMDRLVGRSDRM-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.11
Rot. Bonds3

About 3-(2,5-dimethoxyphenyl)piperidin-4-amine

3-(2,5-dimethoxyphenyl)piperidin-4-amine (PubChem CID 82621034) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)piperidin-4-amine.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)piperidin-4-amine
PubChem CID82621034
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-(2,5-dimethoxyphenyl)piperidin-4-amine
SMILESCOc1ccc(OC)c(C2CNCCC2N)c1
InChIInChI=1S/C13H20N2O2/c1-16-9-3-4-13(17-2)10(7-9)11-8-15-6-5-12(11)14/h3-4,7,11-12,15H,5-6,8,14H2,1-2H3
InChIKeyKITMDRLVGRSDRM-UHFFFAOYSA-N
XLogP1.11
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxyphenyl)piperidin-4-amine
CID 82610675
3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 169498250
4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 63938447
2-(2,5-dimethoxyphenyl)azetidine
CID 55295985
2-(2,5-dimethoxyphenyl)thiomorpholine
CID 82084348
3-(2-bromo-5-methoxyphenyl)pyrrolidine
CID 83730911
trans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol
CID 6994758
6-methoxy-3,4-dihydro-2H-chromene-4-carboxylic acid;3-phenylpiperidin-4-amine
CID 69335562
2-(2,5-dimethoxyphenyl)oxan-3-amine
CID 79364595
(1R)-1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]ethanamine
CID 29079123
(3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-amine
CID 129407373
4-[(4-methoxyphenyl)methyl]piperidin-3-amine
CID 84787592

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)piperidin-4-amine?
The IUPAC name of 3-(2,5-dimethoxyphenyl)piperidin-4-amine (CID 82621034) is 3-(2,5-dimethoxyphenyl)piperidin-4-amine.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)piperidin-4-amine?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)piperidin-4-amine is COc1ccc(OC)c(C2CNCCC2N)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)piperidin-4-amine?
The InChIKey is KITMDRLVGRSDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-16-9-3-4-13(17-2)10(7-9)11-8-15-6-5-12(11)14/h3-4,7,11-12,15H,5-6,8,14H2,1-2H3.
What are the key properties of 3-(2,5-dimethoxyphenyl)piperidin-4-amine?
3-(2,5-dimethoxyphenyl)piperidin-4-amine has a molecular weight of 236.31 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 82621034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).