1-benzyl-3-(3-propan-2-ylphenoxy)piperidine

C21H27NO — CID 59734568

IUPAC1-benzyl-3-(3-propan-2-ylphenoxy)piperidine
SMILESCC(C)c1cccc(OC2CCCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C21H27NO/c1-17(2)19-10-6-11-20(14-19)23-21-12-7-13-22(16-21)15-18-8-4-3-5-9-18/h3-6,8-11,14,17,21H,7,12-13,15-16H2,1-2H3
InChIKeyXEATYPGHWNQIQQ-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.85
Rot. Bonds5

About 1-benzyl-3-(3-propan-2-ylphenoxy)piperidine

1-benzyl-3-(3-propan-2-ylphenoxy)piperidine (PubChem CID 59734568) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-benzyl-3-(3-propan-2-ylphenoxy)piperidine.

Molecular Properties

Compound Name1-benzyl-3-(3-propan-2-ylphenoxy)piperidine
PubChem CID59734568
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name1-benzyl-3-(3-propan-2-ylphenoxy)piperidine
SMILESCC(C)c1cccc(OC2CCCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C21H27NO/c1-17(2)19-10-6-11-20(14-19)23-21-12-7-13-22(16-21)15-18-8-4-3-5-9-18/h3-6,8-11,14,17,21H,7,12-13,15-16H2,1-2H3
InChIKeyXEATYPGHWNQIQQ-UHFFFAOYSA-N
XLogP4.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-benzyl-3-(4-tert-butylphenoxy)piperidine
CID 59734571
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564
N-methyl-4-[[3-(3-phenoxyphenoxy)piperidin-1-yl]methyl]-N-propylaniline
CID 171395486
(3S)-1-[(3-cyclopentyloxyphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 99959391
3-(3-propan-2-ylphenoxy)piperidine
CID 45075406
3-(3-propan-2-ylphenoxy)cyclohexan-1-ol
CID 79618801
2-(1-benzylpiperidin-3-yl)oxyethanol
CID 66563831
1-[3-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-ol
CID 115005736
1-benzyl-3-(2-methylpropoxy)pyrrolidine
CID 67473333
1-benzyl-3-methylpiperidine
CID 2794856
1-benzyl-4-[2-(3-methoxypiperidin-1-yl)ethyl]piperazine
CID 91837664
4-(3-propan-2-ylphenoxy)oxane
CID 126724587

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-propan-2-ylphenoxy)piperidine?
The IUPAC name of 1-benzyl-3-(3-propan-2-ylphenoxy)piperidine (CID 59734568) is 1-benzyl-3-(3-propan-2-ylphenoxy)piperidine.
What is the SMILES notation for 1-benzyl-3-(3-propan-2-ylphenoxy)piperidine?
The canonical SMILES for 1-benzyl-3-(3-propan-2-ylphenoxy)piperidine is CC(C)c1cccc(OC2CCCN(Cc3ccccc3)C2)c1.
What is the InChIKey of 1-benzyl-3-(3-propan-2-ylphenoxy)piperidine?
The InChIKey is XEATYPGHWNQIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-17(2)19-10-6-11-20(14-19)23-21-12-7-13-22(16-21)15-18-8-4-3-5-9-18/h3-6,8-11,14,17,21H,7,12-13,15-16H2,1-2H3.
What are the key properties of 1-benzyl-3-(3-propan-2-ylphenoxy)piperidine?
1-benzyl-3-(3-propan-2-ylphenoxy)piperidine has a molecular weight of 309.45 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-propan-2-ylphenoxy)piperidine is sourced from PubChem (CID 59734568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).