4-tert-butyl-1-phenylpiperidine

C15H23N — CID 612454

IUPAC4-tert-butyl-1-phenylpiperidine
SMILESCC(C)(C)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H23N/c1-15(2,3)13-9-11-16(12-10-13)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3
InChIKeyANFQLEUKEUFKDL-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.95
Rot. Bonds1

About 4-tert-butyl-1-phenylpiperidine

4-tert-butyl-1-phenylpiperidine (PubChem CID 612454) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 4-tert-butyl-1-phenylpiperidine.

Molecular Properties

Compound Name4-tert-butyl-1-phenylpiperidine
PubChem CID612454
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name4-tert-butyl-1-phenylpiperidine
SMILESCC(C)(C)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H23N/c1-15(2,3)13-9-11-16(12-10-13)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3
InChIKeyANFQLEUKEUFKDL-UHFFFAOYSA-N
XLogP3.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-phenylpiperidine?
The IUPAC name of 4-tert-butyl-1-phenylpiperidine (CID 612454) is 4-tert-butyl-1-phenylpiperidine.
What is the SMILES notation for 4-tert-butyl-1-phenylpiperidine?
The canonical SMILES for 4-tert-butyl-1-phenylpiperidine is CC(C)(C)C1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-tert-butyl-1-phenylpiperidine?
The InChIKey is ANFQLEUKEUFKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-15(2,3)13-9-11-16(12-10-13)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3.
What are the key properties of 4-tert-butyl-1-phenylpiperidine?
4-tert-butyl-1-phenylpiperidine has a molecular weight of 217.36 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-phenylpiperidine is sourced from PubChem (CID 612454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).