5-[3-(4-methylpiperidin-1-yl)propyl]-2-propan-2-yloxyaniline

C18H30N2O — CID 82070796

IUPAC5-[3-(4-methylpiperidin-1-yl)propyl]-2-propan-2-yloxyaniline
SMILESCC1CCN(CCCc2ccc(OC(C)C)c(N)c2)CC1
InChIInChI=1S/C18H30N2O/c1-14(2)21-18-7-6-16(13-17(18)19)5-4-10-20-11-8-15(3)9-12-20/h6-7,13-15H,4-5,8-12,19H2,1-3H3
InChIKeyKJTYKWIBVXUXBJ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.72
Rot. Bonds6

About 5-[3-(4-methylpiperidin-1-yl)propyl]-2-propan-2-yloxyaniline

5-[3-(4-methylpiperidin-1-yl)propyl]-2-propan-2-yloxyaniline (PubChem CID 82070796) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-[3-(4-methylpiperidin-1-yl)propyl]-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name5-[3-(4-methylpiperidin-1-yl)propyl]-2-propan-2-yloxyaniline
PubChem CID82070796
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name5-[3-(4-methylpiperidin-1-yl)propyl]-2-propan-2-yloxyaniline
SMILESCC1CCN(CCCc2ccc(OC(C)C)c(N)c2)CC1
InChIInChI=1S/C18H30N2O/c1-14(2)21-18-7-6-16(13-17(18)19)5-4-10-20-11-8-15(3)9-12-20/h6-7,13-15H,4-5,8-12,19H2,1-3H3
InChIKeyKJTYKWIBVXUXBJ-UHFFFAOYSA-N
XLogP3.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-piperazin-1-ylpropyl)-2-propan-2-yloxyaniline
CID 82071077
5-[3-(2-morpholin-4-ylethylamino)propyl]-2-propan-2-yloxyaniline
CID 94759859
2,3-dimethoxy-5-[3-(4-methylpiperidin-1-yl)propyl]aniline
CID 82070771
3-[3-(4-methylpiperidin-1-yl)propyl]aniline
CID 28721152
N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-4-methylpiperazin-1-amine
CID 94759879
2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 82071130
5-[3-(cyclohexylamino)propyl]-2-propan-2-yloxyaniline
CID 82153248
5-[3-[(2-methylcyclohexyl)amino]propyl]-2-propan-2-yloxyaniline
CID 82153259
1-[3-(4-methoxy-3-propan-2-yloxyphenyl)propyl]piperazine
CID 82160589
5-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(4-methylpiperidin-1-yl)aniline
CID 82027795
5-[3-(2-methylpropylamino)propyl]-2-propan-2-yloxyaniline
CID 82153239
5-[3-(4-ethylpiperazin-1-yl)propyl]-2-propoxyaniline
CID 82153563

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methylpiperidin-1-yl)propyl]-2-propan-2-yloxyaniline?
The IUPAC name of 5-[3-(4-methylpiperidin-1-yl)propyl]-2-propan-2-yloxyaniline (CID 82070796) is 5-[3-(4-methylpiperidin-1-yl)propyl]-2-propan-2-yloxyaniline.
What is the SMILES notation for 5-[3-(4-methylpiperidin-1-yl)propyl]-2-propan-2-yloxyaniline?
The canonical SMILES for 5-[3-(4-methylpiperidin-1-yl)propyl]-2-propan-2-yloxyaniline is CC1CCN(CCCc2ccc(OC(C)C)c(N)c2)CC1.
What is the InChIKey of 5-[3-(4-methylpiperidin-1-yl)propyl]-2-propan-2-yloxyaniline?
The InChIKey is KJTYKWIBVXUXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)21-18-7-6-16(13-17(18)19)5-4-10-20-11-8-15(3)9-12-20/h6-7,13-15H,4-5,8-12,19H2,1-3H3.
What are the key properties of 5-[3-(4-methylpiperidin-1-yl)propyl]-2-propan-2-yloxyaniline?
5-[3-(4-methylpiperidin-1-yl)propyl]-2-propan-2-yloxyaniline has a molecular weight of 290.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methylpiperidin-1-yl)propyl]-2-propan-2-yloxyaniline is sourced from PubChem (CID 82070796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).