2,3,5-trimethyl-1-prop-2-enylpiperidine

C11H21N — CID 130659291

IUPAC2,3,5-trimethyl-1-prop-2-enylpiperidine
SMILESC=CCN1CC(C)CC(C)C1C
InChIInChI=1S/C11H21N/c1-5-6-12-8-9(2)7-10(3)11(12)4/h5,9-11H,1,6-8H2,2-4H3
InChIKeyYXZNCVCVFWGUSG-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.54
Rot. Bonds2

About 2,3,5-trimethyl-1-prop-2-enylpiperidine

2,3,5-trimethyl-1-prop-2-enylpiperidine (PubChem CID 130659291) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2,3,5-trimethyl-1-prop-2-enylpiperidine.

Molecular Properties

Compound Name2,3,5-trimethyl-1-prop-2-enylpiperidine
PubChem CID130659291
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2,3,5-trimethyl-1-prop-2-enylpiperidine
SMILESC=CCN1CC(C)CC(C)C1C
InChIInChI=1S/C11H21N/c1-5-6-12-8-9(2)7-10(3)11(12)4/h5,9-11H,1,6-8H2,2-4H3
InChIKeyYXZNCVCVFWGUSG-UHFFFAOYSA-N
XLogP2.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3,5-trimethyl-1-prop-2-enylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3,5-trimethylpiperidin-1-yl)ethanethiol
CID 114597780
2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592249
4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114594600
1-(azetidin-3-ylmethyl)-2,3,5-trimethylpiperidine
CID 114593869
3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-3-amine
CID 114593805
2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-ol
CID 114594601
1-cyclopentyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanone
CID 114594142
2,2-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoic acid
CID 114593995
N-prop-2-enyl-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
CID 114597222
2-methyl-4-prop-2-enyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-7-ol
CID 67930034
2,4-dimethyl-1-(3-methylbut-2-enyl)pyrrolidine
CID 126995395
[1-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclobutyl]methanethiol
CID 114597778

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-1-prop-2-enylpiperidine?
The IUPAC name of 2,3,5-trimethyl-1-prop-2-enylpiperidine (CID 130659291) is 2,3,5-trimethyl-1-prop-2-enylpiperidine.
What is the SMILES notation for 2,3,5-trimethyl-1-prop-2-enylpiperidine?
The canonical SMILES for 2,3,5-trimethyl-1-prop-2-enylpiperidine is C=CCN1CC(C)CC(C)C1C.
What is the InChIKey of 2,3,5-trimethyl-1-prop-2-enylpiperidine?
The InChIKey is YXZNCVCVFWGUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-5-6-12-8-9(2)7-10(3)11(12)4/h5,9-11H,1,6-8H2,2-4H3.
What are the key properties of 2,3,5-trimethyl-1-prop-2-enylpiperidine?
2,3,5-trimethyl-1-prop-2-enylpiperidine has a molecular weight of 167.30 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-1-prop-2-enylpiperidine is sourced from PubChem (CID 130659291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).