4-methyl-1-[4-(2-prop-2-enylphenoxy)butyl]piperidine

C19H29NO — CID 2298260

IUPAC4-methyl-1-[4-(2-prop-2-enylphenoxy)butyl]piperidine
SMILESC=CCc1ccccc1OCCCCN1CCC(C)CC1
InChIInChI=1S/C19H29NO/c1-3-8-18-9-4-5-10-19(18)21-16-7-6-13-20-14-11-17(2)12-15-20/h3-5,9-10,17H,1,6-8,11-16H2,2H3
InChIKeyNXXBHHDFONDYTK-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.31
Rot. Bonds8

About 4-methyl-1-[4-(2-prop-2-enylphenoxy)butyl]piperidine

4-methyl-1-[4-(2-prop-2-enylphenoxy)butyl]piperidine (PubChem CID 2298260) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 4-methyl-1-[4-(2-prop-2-enylphenoxy)butyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[4-(2-prop-2-enylphenoxy)butyl]piperidine
PubChem CID2298260
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name4-methyl-1-[4-(2-prop-2-enylphenoxy)butyl]piperidine
SMILESC=CCc1ccccc1OCCCCN1CCC(C)CC1
InChIInChI=1S/C19H29NO/c1-3-8-18-9-4-5-10-19(18)21-16-7-6-13-20-14-11-17(2)12-15-20/h3-5,9-10,17H,1,6-8,11-16H2,2H3
InChIKeyNXXBHHDFONDYTK-UHFFFAOYSA-N
XLogP4.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-1-[4-(2-prop-2-enylphenoxy)butyl]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-[4-(2-bromophenoxy)butyl]-4-methylpiperidine
CID 2888107
oxalic acid;1-[3-(2-prop-2-enylphenoxy)propyl]azepane
CID 2944028
4-methyl-1-[2-(2-prop-2-enylphenoxy)ethyl]piperidin-1-ium
CID 2297396
1-[4-(2-butan-2-ylphenoxy)butyl]-4-methylpiperidine
CID 2924362
N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine
CID 2184313
1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol
CID 39363366
1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine
CID 40804379
2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[(2-prop-2-enoxyphenyl)methyl]guanidine
CID 111555795
4-methyl-1-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 40573611
(2S,6R)-2,6-dimethyl-4-[4-(2-prop-2-enylphenoxy)butyl]morpholin-4-ium
CID 2183046
methyl 4-(2-prop-2-enylphenoxy)butanoate
CID 43608103
1-[4-(4-bromo-2-methylphenoxy)butyl]-4-methylpiperidine
CID 2299722

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(2-prop-2-enylphenoxy)butyl]piperidine?
The IUPAC name of 4-methyl-1-[4-(2-prop-2-enylphenoxy)butyl]piperidine (CID 2298260) is 4-methyl-1-[4-(2-prop-2-enylphenoxy)butyl]piperidine.
What is the SMILES notation for 4-methyl-1-[4-(2-prop-2-enylphenoxy)butyl]piperidine?
The canonical SMILES for 4-methyl-1-[4-(2-prop-2-enylphenoxy)butyl]piperidine is C=CCc1ccccc1OCCCCN1CCC(C)CC1.
What is the InChIKey of 4-methyl-1-[4-(2-prop-2-enylphenoxy)butyl]piperidine?
The InChIKey is NXXBHHDFONDYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-8-18-9-4-5-10-19(18)21-16-7-6-13-20-14-11-17(2)12-15-20/h3-5,9-10,17H,1,6-8,11-16H2,2H3.
What are the key properties of 4-methyl-1-[4-(2-prop-2-enylphenoxy)butyl]piperidine?
4-methyl-1-[4-(2-prop-2-enylphenoxy)butyl]piperidine has a molecular weight of 287.45 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(2-prop-2-enylphenoxy)butyl]piperidine is sourced from PubChem (CID 2298260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).