3,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline

C16H26N2O2 — CID 82093802

IUPAC3,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline
SMILESCOc1ccc(NCCCN2CCCCC2)cc1OC
InChIInChI=1S/C16H26N2O2/c1-19-15-8-7-14(13-16(15)20-2)17-9-6-12-18-10-4-3-5-11-18/h7-8,13,17H,3-6,9-12H2,1-2H3
InChIKeyXIQHIVXUYXIUCY-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.99
Rot. Bonds7

About 3,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline

3,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline (PubChem CID 82093802) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline.

Molecular Properties

Compound Name3,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline
PubChem CID82093802
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline
SMILESCOc1ccc(NCCCN2CCCCC2)cc1OC
InChIInChI=1S/C16H26N2O2/c1-19-15-8-7-14(13-16(15)20-2)17-9-6-12-18-10-4-3-5-11-18/h7-8,13,17H,3-6,9-12H2,1-2H3
InChIKeyXIQHIVXUYXIUCY-UHFFFAOYSA-N
XLogP2.99
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-methoxy-N-(2-piperidin-1-ylethyl)aniline
CID 54806952
3,4,5-trimethoxy-N-[3-[4-[3-(3,4,5-trimethoxyanilino)propyl]-1,4-diazepan-1-yl]propyl]aniline
CID 15728776
2,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline
CID 82093801
4-methoxy-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 94855988
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 109033634
N-[2-(azepan-1-yl)ethyl]-3-methoxy-4-nitroaniline
CID 63672136
2-propoxy-4-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
CID 63677568
N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline
CID 54807048
3-(3,4-dimethoxyanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013354
4-methoxy-3-nitro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82096092
N-[3-(azepan-1-yl)propyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 92675634
4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 61494408

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline?
The IUPAC name of 3,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline (CID 82093802) is 3,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline.
What is the SMILES notation for 3,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline?
The canonical SMILES for 3,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline is COc1ccc(NCCCN2CCCCC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline?
The InChIKey is XIQHIVXUYXIUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-19-15-8-7-14(13-16(15)20-2)17-9-6-12-18-10-4-3-5-11-18/h7-8,13,17H,3-6,9-12H2,1-2H3.
What are the key properties of 3,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline?
3,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline has a molecular weight of 278.40 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline is sourced from PubChem (CID 82093802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).