5-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(4-methylpiperidin-1-yl)aniline

C22H37N3 — CID 82027795

IUPAC5-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(4-methylpiperidin-1-yl)aniline
SMILESCC1CCN(c2ccc(CCCN3CC(C)CC(C)C3)cc2N)CC1
InChIInChI=1S/C22H37N3/c1-17-8-11-25(12-9-17)22-7-6-20(14-21(22)23)5-4-10-24-15-18(2)13-19(3)16-24/h6-7,14,17-19H,4-5,8-13,15-16,23H2,1-3H3
InChIKeyIIMPEEOIKUFQIW-UHFFFAOYSA-N
MW343.56 g/mol
LogP4.42
Rot. Bonds5

About 5-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(4-methylpiperidin-1-yl)aniline

5-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(4-methylpiperidin-1-yl)aniline (PubChem CID 82027795) has the molecular formula C22H37N3 and a molecular weight of 343.56 g/mol. Its IUPAC name is 5-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(4-methylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name5-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(4-methylpiperidin-1-yl)aniline
PubChem CID82027795
Molecular FormulaC22H37N3
Molecular Weight343.56 g/mol
Exact Mass343.30
IUPAC Name5-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(4-methylpiperidin-1-yl)aniline
SMILESCC1CCN(c2ccc(CCCN3CC(C)CC(C)C3)cc2N)CC1
InChIInChI=1S/C22H37N3/c1-17-8-11-25(12-9-17)22-7-6-20(14-21(22)23)5-4-10-24-15-18(2)13-19(3)16-24/h6-7,14,17-19H,4-5,8-13,15-16,23H2,1-3H3
InChIKeyIIMPEEOIKUFQIW-UHFFFAOYSA-N
XLogP4.42
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.56
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(4-methylpiperidin-1-yl)aniline?
The IUPAC name of 5-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(4-methylpiperidin-1-yl)aniline (CID 82027795) is 5-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(4-methylpiperidin-1-yl)aniline.
What is the SMILES notation for 5-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(4-methylpiperidin-1-yl)aniline?
The canonical SMILES for 5-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(4-methylpiperidin-1-yl)aniline is CC1CCN(c2ccc(CCCN3CC(C)CC(C)C3)cc2N)CC1.
What is the InChIKey of 5-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(4-methylpiperidin-1-yl)aniline?
The InChIKey is IIMPEEOIKUFQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3/c1-17-8-11-25(12-9-17)22-7-6-20(14-21(22)23)5-4-10-24-15-18(2)13-19(3)16-24/h6-7,14,17-19H,4-5,8-13,15-16,23H2,1-3H3.
What are the key properties of 5-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(4-methylpiperidin-1-yl)aniline?
5-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(4-methylpiperidin-1-yl)aniline has a molecular weight of 343.56 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(4-methylpiperidin-1-yl)aniline is sourced from PubChem (CID 82027795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).