4-[3-(3,5-dimethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline

C18H28N2 — CID 2845639

IUPAC4-[3-(3,5-dimethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline
SMILESCC1CC(C)CN(CC=Cc2ccc(N(C)C)cc2)C1
InChIInChI=1S/C18H28N2/c1-15-12-16(2)14-20(13-15)11-5-6-17-7-9-18(10-8-17)19(3)4/h5-10,15-16H,11-14H2,1-4H3
InChIKeyKINJPXKQTQOCHR-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.74
Rot. Bonds4

About 4-[3-(3,5-dimethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline

4-[3-(3,5-dimethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline (PubChem CID 2845639) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 4-[3-(3,5-dimethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[3-(3,5-dimethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline
PubChem CID2845639
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name4-[3-(3,5-dimethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline
SMILESCC1CC(C)CN(CC=Cc2ccc(N(C)C)cc2)C1
InChIInChI=1S/C18H28N2/c1-15-12-16(2)14-20(13-15)11-5-6-17-7-9-18(10-8-17)19(3)4/h5-10,15-16H,11-14H2,1-4H3
InChIKeyKINJPXKQTQOCHR-UHFFFAOYSA-N
XLogP3.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dimethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline?
The IUPAC name of 4-[3-(3,5-dimethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline (CID 2845639) is 4-[3-(3,5-dimethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[3-(3,5-dimethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[3-(3,5-dimethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline is CC1CC(C)CN(CC=Cc2ccc(N(C)C)cc2)C1.
What is the InChIKey of 4-[3-(3,5-dimethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline?
The InChIKey is KINJPXKQTQOCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15-12-16(2)14-20(13-15)11-5-6-17-7-9-18(10-8-17)19(3)4/h5-10,15-16H,11-14H2,1-4H3.
What are the key properties of 4-[3-(3,5-dimethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline?
4-[3-(3,5-dimethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline has a molecular weight of 272.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dimethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline is sourced from PubChem (CID 2845639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).