4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline

C16H26N2O2 — CID 115413955

IUPAC4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline
SMILESCCCOC1CCCN(Cc2cc(OC)ccc2N)C1
InChIInChI=1S/C16H26N2O2/c1-3-9-20-15-5-4-8-18(12-15)11-13-10-14(19-2)6-7-16(13)17/h6-7,10,15H,3-5,8-9,11-12,17H2,1-2H3
InChIKeyOFNKBUHPRHKPDN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.67
Rot. Bonds6

About 4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline

4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline (PubChem CID 115413955) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline.

Molecular Properties

Compound Name4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline
PubChem CID115413955
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline
SMILESCCCOC1CCCN(Cc2cc(OC)ccc2N)C1
InChIInChI=1S/C16H26N2O2/c1-3-9-20-15-5-4-8-18(12-15)11-13-10-14(19-2)6-7-16(13)17/h6-7,10,15H,3-5,8-9,11-12,17H2,1-2H3
InChIKeyOFNKBUHPRHKPDN-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]aniline
CID 54985711
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-propoxypiperidine
CID 99955836
2-[(4-ethoxypiperidin-1-yl)methyl]-4-methoxyaniline
CID 115413849
3-(4-methoxyphenyl)-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42383127
2-[2-(3-propoxypiperidin-1-yl)ethyl]aniline
CID 62495233
[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol
CID 112548894
4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 103947572
2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline
CID 115413796
2-methoxy-5-[(3-propoxypiperidin-1-yl)methyl]pyridine
CID 77092772
[4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888050
4-methoxy-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]aniline
CID 115414078
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)-5-methoxyaniline
CID 115414106

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline?
The IUPAC name of 4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline (CID 115413955) is 4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline.
What is the SMILES notation for 4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline?
The canonical SMILES for 4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline is CCCOC1CCCN(Cc2cc(OC)ccc2N)C1.
What is the InChIKey of 4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline?
The InChIKey is OFNKBUHPRHKPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-9-20-15-5-4-8-18(12-15)11-13-10-14(19-2)6-7-16(13)17/h6-7,10,15H,3-5,8-9,11-12,17H2,1-2H3.
What are the key properties of 4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline?
4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline has a molecular weight of 278.40 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline is sourced from PubChem (CID 115413955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).