4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine

C19H37NO — CID 177203652

IUPAC4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine
SMILESC=CC(C)CC(C)(CC)C1CCN(CCOC(C)C)CC1
InChIInChI=1S/C19H37NO/c1-7-17(5)15-19(6,8-2)18-9-11-20(12-10-18)13-14-21-16(3)4/h7,16-18H,1,8-15H2,2-6H3
InChIKeyJECAMKXLWCVYQP-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.75
Rot. Bonds9

About 4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine

4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine (PubChem CID 177203652) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine.

Molecular Properties

Compound Name4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine
PubChem CID177203652
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine
SMILESC=CC(C)CC(C)(CC)C1CCN(CCOC(C)C)CC1
InChIInChI=1S/C19H37NO/c1-7-17(5)15-19(6,8-2)18-9-11-20(12-10-18)13-14-21-16(3)4/h7,16-18H,1,8-15H2,2-6H3
InChIKeyJECAMKXLWCVYQP-UHFFFAOYSA-N
XLogP4.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine?
The IUPAC name of 4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine (CID 177203652) is 4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine.
What is the SMILES notation for 4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine?
The canonical SMILES for 4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine is C=CC(C)CC(C)(CC)C1CCN(CCOC(C)C)CC1.
What is the InChIKey of 4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine?
The InChIKey is JECAMKXLWCVYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-7-17(5)15-19(6,8-2)18-9-11-20(12-10-18)13-14-21-16(3)4/h7,16-18H,1,8-15H2,2-6H3.
What are the key properties of 4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine?
4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine has a molecular weight of 295.51 g/mol, XLogP of 4.75, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine is sourced from PubChem (CID 177203652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).