3-(4-butoxy-3-propan-2-yloxyphenyl)piperidine

C18H29NO2 — CID 117100267

IUPAC3-(4-butoxy-3-propan-2-yloxyphenyl)piperidine
SMILESCCCCOc1ccc(C2CCCNC2)cc1OC(C)C
InChIInChI=1S/C18H29NO2/c1-4-5-11-20-17-9-8-15(12-18(17)21-14(2)3)16-7-6-10-19-13-16/h8-9,12,14,16,19H,4-7,10-11,13H2,1-3H3
InChIKeyYVVGWHAHRGAVHT-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.12
Rot. Bonds7

About 3-(4-butoxy-3-propan-2-yloxyphenyl)piperidine

3-(4-butoxy-3-propan-2-yloxyphenyl)piperidine (PubChem CID 117100267) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-(4-butoxy-3-propan-2-yloxyphenyl)piperidine.

Molecular Properties

Compound Name3-(4-butoxy-3-propan-2-yloxyphenyl)piperidine
PubChem CID117100267
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3-(4-butoxy-3-propan-2-yloxyphenyl)piperidine
SMILESCCCCOc1ccc(C2CCCNC2)cc1OC(C)C
InChIInChI=1S/C18H29NO2/c1-4-5-11-20-17-9-8-15(12-18(17)21-14(2)3)16-7-6-10-19-13-16/h8-9,12,14,16,19H,4-7,10-11,13H2,1-3H3
InChIKeyYVVGWHAHRGAVHT-UHFFFAOYSA-N
XLogP4.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-butoxy-3-propan-2-yloxyphenyl)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

4-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)butan-2-one
CID 117100282
3-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)propane-1,2-diol
CID 117100276
3-(4-but-3-enoxy-3-ethoxyphenyl)piperidine
CID 117100261
2-(2-ethoxy-4-piperidin-3-ylphenoxy)propanamide
CID 117100260
4-(3-methyl-4-propan-2-yloxyphenyl)azepane
CID 82296050
2-(2-methoxy-4-piperidin-3-ylphenoxy)propanamide
CID 117100231
3-(3-ethoxy-4-methoxyphenyl)pyrrolidine
CID 116989297
1-butoxy-2-chloro-4-[4-(4-propan-2-ylphenyl)cyclohexyl]benzene
CID 59690979
(3S)-3-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]pyrrolidine
CID 175176896
3-(3-methyl-4-propan-2-yloxyphenyl)azetidine
CID 82283172
4-butoxy-3-ethoxy-N-piperidin-3-ylbenzamide
CID 119426765
1-[4-[(3S)-piperidin-3-yl]phenyl]ethanol
CID 154574830

Frequently Asked Questions

What is the IUPAC name of 3-(4-butoxy-3-propan-2-yloxyphenyl)piperidine?
The IUPAC name of 3-(4-butoxy-3-propan-2-yloxyphenyl)piperidine (CID 117100267) is 3-(4-butoxy-3-propan-2-yloxyphenyl)piperidine.
What is the SMILES notation for 3-(4-butoxy-3-propan-2-yloxyphenyl)piperidine?
The canonical SMILES for 3-(4-butoxy-3-propan-2-yloxyphenyl)piperidine is CCCCOc1ccc(C2CCCNC2)cc1OC(C)C.
What is the InChIKey of 3-(4-butoxy-3-propan-2-yloxyphenyl)piperidine?
The InChIKey is YVVGWHAHRGAVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-5-11-20-17-9-8-15(12-18(17)21-14(2)3)16-7-6-10-19-13-16/h8-9,12,14,16,19H,4-7,10-11,13H2,1-3H3.
What are the key properties of 3-(4-butoxy-3-propan-2-yloxyphenyl)piperidine?
3-(4-butoxy-3-propan-2-yloxyphenyl)piperidine has a molecular weight of 291.44 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butoxy-3-propan-2-yloxyphenyl)piperidine is sourced from PubChem (CID 117100267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).