2,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline

C16H26N2O2 — CID 82093801

IUPAC2,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline
SMILESCOc1ccc(NCCCN2CCCCC2)c(OC)c1
InChIInChI=1S/C16H26N2O2/c1-19-14-7-8-15(16(13-14)20-2)17-9-6-12-18-10-4-3-5-11-18/h7-8,13,17H,3-6,9-12H2,1-2H3
InChIKeyBHGKWEACCLXVPO-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.99
Rot. Bonds7

About 2,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline

2,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline (PubChem CID 82093801) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline.

Molecular Properties

Compound Name2,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline
PubChem CID82093801
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline
SMILESCOc1ccc(NCCCN2CCCCC2)c(OC)c1
InChIInChI=1S/C16H26N2O2/c1-19-14-7-8-15(16(13-14)20-2)17-9-6-12-18-10-4-3-5-11-18/h7-8,13,17H,3-6,9-12H2,1-2H3
InChIKeyBHGKWEACCLXVPO-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

1-[3-(azepan-1-yl)propyl]-3-(2,4-dimethoxyphenyl)thiourea
CID 100616341
4-methoxy-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 94855988
4-methoxy-2-nitro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 60666961
3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride
CID 2901116
3,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline
CID 82093802
4-methoxy-2-(3-pyrrolidin-1-ylpropylamino)benzenecarbothioamide
CID 81306691
N-[3-(azepan-1-yl)propyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 76858477
1-(2,4-dimethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60898032
2,4-dimethoxy-N-pentylaniline
CID 28570496
2,4-dimethoxy-N-pent-4-ynylaniline
CID 115871890
N-(2,4-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82084110
N'-(2,4-dimethoxyphenyl)butane-1,4-diamine
CID 82114957

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline?
The IUPAC name of 2,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline (CID 82093801) is 2,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline.
What is the SMILES notation for 2,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline?
The canonical SMILES for 2,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline is COc1ccc(NCCCN2CCCCC2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline?
The InChIKey is BHGKWEACCLXVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-19-14-7-8-15(16(13-14)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 2,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline?
2,4-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 2,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline is sourced from PubChem (CID 82093801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).