4-ethenyl-1-(2-methylpropyl)piperidine

C11H21N — CID 138457613

IUPAC4-ethenyl-1-(2-methylpropyl)piperidine
SMILESC=CC1CCN(CC(C)C)CC1
InChIInChI=1S/C11H21N/c1-4-11-5-7-12(8-6-11)9-10(2)3/h4,10-11H,1,5-9H2,2-3H3
InChIKeyDBVXIJCIPKDHHS-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.54
Rot. Bonds3

About 4-ethenyl-1-(2-methylpropyl)piperidine

4-ethenyl-1-(2-methylpropyl)piperidine (PubChem CID 138457613) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 4-ethenyl-1-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-ethenyl-1-(2-methylpropyl)piperidine
PubChem CID138457613
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name4-ethenyl-1-(2-methylpropyl)piperidine
SMILESC=CC1CCN(CC(C)C)CC1
InChIInChI=1S/C11H21N/c1-4-11-5-7-12(8-6-11)9-10(2)3/h4,10-11H,1,5-9H2,2-3H3
InChIKeyDBVXIJCIPKDHHS-UHFFFAOYSA-N
XLogP2.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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 4-ethenyl-1-(2-methylpropyl)piperidine 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

1-(2-methylpropyl)-N-prop-2-enylpiperidin-4-amine
CID 102613965
4-ethenyl-1-ethylpiperidine;hydrobromide
CID 175127367
4-chloro-1-(2-methylpropyl)piperidine
CID 63389166
N-buta-1,3-dien-2-yl-1-(2-methylpropyl)piperidin-4-amine
CID 144655866
4-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperidine
CID 126612510
1-(2-methylpropyl)piperidine-4-carbonitrile
CID 39236120
1-(2-methylpropyl)-4-[4-(2-methylpropyl)piperidin-1-yl]piperidine
CID 177321679
(4-ethenylpiperidin-1-yl)methyl acetate
CID 54261484
4-ethenyl-1-methylpiperidine;hydrochloride
CID 173358659
N-methyl-N,1-bis(2-methylpropyl)piperidin-4-amine
CID 138728386
(4R)-1-(2-methylpropyl)azepan-4-ol
CID 171753262
1-(cyclopropylmethyl)-4-(2-methylpropyl)piperazine
CID 59603480

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(2-methylpropyl)piperidine?
The IUPAC name of 4-ethenyl-1-(2-methylpropyl)piperidine (CID 138457613) is 4-ethenyl-1-(2-methylpropyl)piperidine.
What is the SMILES notation for 4-ethenyl-1-(2-methylpropyl)piperidine?
The canonical SMILES for 4-ethenyl-1-(2-methylpropyl)piperidine is C=CC1CCN(CC(C)C)CC1.
What is the InChIKey of 4-ethenyl-1-(2-methylpropyl)piperidine?
The InChIKey is DBVXIJCIPKDHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-11-5-7-12(8-6-11)9-10(2)3/h4,10-11H,1,5-9H2,2-3H3.
What are the key properties of 4-ethenyl-1-(2-methylpropyl)piperidine?
4-ethenyl-1-(2-methylpropyl)piperidine has a molecular weight of 167.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(2-methylpropyl)piperidine is sourced from PubChem (CID 138457613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).