5-methoxy-3-N-(2-piperidin-1-ylethyl)benzene-1,3-diamine

C14H23N3O — CID 80739266

IUPAC5-methoxy-3-N-(2-piperidin-1-ylethyl)benzene-1,3-diamine
SMILESCOc1cc(N)cc(NCCN2CCCCC2)c1
InChIInChI=1S/C14H23N3O/c1-18-14-10-12(15)9-13(11-14)16-5-8-17-6-3-2-4-7-17/h9-11,16H,2-8,15H2,1H3
InChIKeyPQWFIDQJMOFGAM-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.18
Rot. Bonds5

About 5-methoxy-3-N-(2-piperidin-1-ylethyl)benzene-1,3-diamine

5-methoxy-3-N-(2-piperidin-1-ylethyl)benzene-1,3-diamine (PubChem CID 80739266) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-methoxy-3-N-(2-piperidin-1-ylethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-methoxy-3-N-(2-piperidin-1-ylethyl)benzene-1,3-diamine
PubChem CID80739266
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name5-methoxy-3-N-(2-piperidin-1-ylethyl)benzene-1,3-diamine
SMILESCOc1cc(N)cc(NCCN2CCCCC2)c1
InChIInChI=1S/C14H23N3O/c1-18-14-10-12(15)9-13(11-14)16-5-8-17-6-3-2-4-7-17/h9-11,16H,2-8,15H2,1H3
InChIKeyPQWFIDQJMOFGAM-UHFFFAOYSA-N
XLogP2.18
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline
CID 54807048
5-ethoxy-3-N-(2-thiomorpholin-4-ylethyl)benzene-1,3-diamine
CID 106324907
3,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82079424
5-methoxy-3-N-[(1-methylpiperidin-4-yl)methyl]benzene-1,3-diamine
CID 80739096
4-N-[2-(azepan-1-yl)ethyl]benzene-1,2,4-triamine
CID 106750490
3-N-(cyclopentylmethyl)-5-methoxybenzene-1,3-diamine
CID 80722168
3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine
CID 80726384
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxybenzene-1,3-diamine
CID 80723151
1-N-[2-(azepan-1-yl)ethyl]-4-methylbenzene-1,3-diamine
CID 62911471
2-(3-amino-5-methoxyanilino)ethanesulfonamide
CID 80730733
5-methoxy-3-N-(5,5,5-trifluoropentyl)benzene-1,3-diamine
CID 113326788
2-[2-(azepan-1-yl)ethylamino]-4-methoxybenzonitrile
CID 81303360

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-N-(2-piperidin-1-ylethyl)benzene-1,3-diamine?
The IUPAC name of 5-methoxy-3-N-(2-piperidin-1-ylethyl)benzene-1,3-diamine (CID 80739266) is 5-methoxy-3-N-(2-piperidin-1-ylethyl)benzene-1,3-diamine.
What is the SMILES notation for 5-methoxy-3-N-(2-piperidin-1-ylethyl)benzene-1,3-diamine?
The canonical SMILES for 5-methoxy-3-N-(2-piperidin-1-ylethyl)benzene-1,3-diamine is COc1cc(N)cc(NCCN2CCCCC2)c1.
What is the InChIKey of 5-methoxy-3-N-(2-piperidin-1-ylethyl)benzene-1,3-diamine?
The InChIKey is PQWFIDQJMOFGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-18-14-10-12(15)9-13(11-14)16-5-8-17-6-3-2-4-7-17/h9-11,16H,2-8,15H2,1H3.
What are the key properties of 5-methoxy-3-N-(2-piperidin-1-ylethyl)benzene-1,3-diamine?
5-methoxy-3-N-(2-piperidin-1-ylethyl)benzene-1,3-diamine has a molecular weight of 249.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-N-(2-piperidin-1-ylethyl)benzene-1,3-diamine is sourced from PubChem (CID 80739266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).