1-(2-butan-2-yl-3-phenoxyphenyl)piperidine

C21H27NO — CID 123150462

IUPAC1-(2-butan-2-yl-3-phenoxyphenyl)piperidine
SMILESCCC(C)c1c(Oc2ccccc2)cccc1N1CCCCC1
InChIInChI=1S/C21H27NO/c1-3-17(2)21-19(22-15-8-5-9-16-22)13-10-14-20(21)23-18-11-6-4-7-12-18/h4,6-7,10-14,17H,3,5,8-9,15-16H2,1-2H3
InChIKeyJZDBBCDHODNSKK-UHFFFAOYSA-N
MW309.45 g/mol
LogP5.98
Rot. Bonds5

About 1-(2-butan-2-yl-3-phenoxyphenyl)piperidine

1-(2-butan-2-yl-3-phenoxyphenyl)piperidine (PubChem CID 123150462) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-(2-butan-2-yl-3-phenoxyphenyl)piperidine.

Molecular Properties

Compound Name1-(2-butan-2-yl-3-phenoxyphenyl)piperidine
PubChem CID123150462
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name1-(2-butan-2-yl-3-phenoxyphenyl)piperidine
SMILESCCC(C)c1c(Oc2ccccc2)cccc1N1CCCCC1
InChIInChI=1S/C21H27NO/c1-3-17(2)21-19(22-15-8-5-9-16-22)13-10-14-20(21)23-18-11-6-4-7-12-18/h4,6-7,10-14,17H,3,5,8-9,15-16H2,1-2H3
InChIKeyJZDBBCDHODNSKK-UHFFFAOYSA-N
XLogP5.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-yl-3-phenoxyphenyl)piperidine?
The IUPAC name of 1-(2-butan-2-yl-3-phenoxyphenyl)piperidine (CID 123150462) is 1-(2-butan-2-yl-3-phenoxyphenyl)piperidine.
What is the SMILES notation for 1-(2-butan-2-yl-3-phenoxyphenyl)piperidine?
The canonical SMILES for 1-(2-butan-2-yl-3-phenoxyphenyl)piperidine is CCC(C)c1c(Oc2ccccc2)cccc1N1CCCCC1.
What is the InChIKey of 1-(2-butan-2-yl-3-phenoxyphenyl)piperidine?
The InChIKey is JZDBBCDHODNSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-3-17(2)21-19(22-15-8-5-9-16-22)13-10-14-20(21)23-18-11-6-4-7-12-18/h4,6-7,10-14,17H,3,5,8-9,15-16H2,1-2H3.
What are the key properties of 1-(2-butan-2-yl-3-phenoxyphenyl)piperidine?
1-(2-butan-2-yl-3-phenoxyphenyl)piperidine has a molecular weight of 309.45 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-yl-3-phenoxyphenyl)piperidine is sourced from PubChem (CID 123150462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).