3-benzyl-4-butan-2-ylpiperidine

C16H25N — CID 79320392

IUPAC3-benzyl-4-butan-2-ylpiperidine
SMILESCCC(C)C1CCNCC1Cc1ccccc1
InChIInChI=1S/C16H25N/c1-3-13(2)16-9-10-17-12-15(16)11-14-7-5-4-6-8-14/h4-8,13,15-17H,3,9-12H2,1-2H3
InChIKeyOIJBARRCBCWDCV-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.50
Rot. Bonds4

About 3-benzyl-4-butan-2-ylpiperidine

3-benzyl-4-butan-2-ylpiperidine (PubChem CID 79320392) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-benzyl-4-butan-2-ylpiperidine.

Molecular Properties

Compound Name3-benzyl-4-butan-2-ylpiperidine
PubChem CID79320392
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-benzyl-4-butan-2-ylpiperidine
SMILESCCC(C)C1CCNCC1Cc1ccccc1
InChIInChI=1S/C16H25N/c1-3-13(2)16-9-10-17-12-15(16)11-14-7-5-4-6-8-14/h4-8,13,15-17H,3,9-12H2,1-2H3
InChIKeyOIJBARRCBCWDCV-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-butan-2-ylpiperidine?
The IUPAC name of 3-benzyl-4-butan-2-ylpiperidine (CID 79320392) is 3-benzyl-4-butan-2-ylpiperidine.
What is the SMILES notation for 3-benzyl-4-butan-2-ylpiperidine?
The canonical SMILES for 3-benzyl-4-butan-2-ylpiperidine is CCC(C)C1CCNCC1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-butan-2-ylpiperidine?
The InChIKey is OIJBARRCBCWDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-13(2)16-9-10-17-12-15(16)11-14-7-5-4-6-8-14/h4-8,13,15-17H,3,9-12H2,1-2H3.
What are the key properties of 3-benzyl-4-butan-2-ylpiperidine?
3-benzyl-4-butan-2-ylpiperidine has a molecular weight of 231.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-butan-2-ylpiperidine is sourced from PubChem (CID 79320392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).