5-tert-butyl-2-phenylmethoxypiperidine

C16H25NO — CID 167076549

IUPAC5-tert-butyl-2-phenylmethoxypiperidine
SMILESCC(C)(C)C1CCC(OCc2ccccc2)NC1
InChIInChI=1S/C16H25NO/c1-16(2,3)14-9-10-15(17-11-14)18-12-13-7-5-4-6-8-13/h4-8,14-15,17H,9-12H2,1-3H3
InChIKeySNSGNYMHDPEJKW-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.58
Rot. Bonds3

About 5-tert-butyl-2-phenylmethoxypiperidine

5-tert-butyl-2-phenylmethoxypiperidine (PubChem CID 167076549) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 5-tert-butyl-2-phenylmethoxypiperidine.

Molecular Properties

Compound Name5-tert-butyl-2-phenylmethoxypiperidine
PubChem CID167076549
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name5-tert-butyl-2-phenylmethoxypiperidine
SMILESCC(C)(C)C1CCC(OCc2ccccc2)NC1
InChIInChI=1S/C16H25NO/c1-16(2,3)14-9-10-15(17-11-14)18-12-13-7-5-4-6-8-13/h4-8,14-15,17H,9-12H2,1-3H3
InChIKeySNSGNYMHDPEJKW-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-phenylmethoxypiperidine?
The IUPAC name of 5-tert-butyl-2-phenylmethoxypiperidine (CID 167076549) is 5-tert-butyl-2-phenylmethoxypiperidine.
What is the SMILES notation for 5-tert-butyl-2-phenylmethoxypiperidine?
The canonical SMILES for 5-tert-butyl-2-phenylmethoxypiperidine is CC(C)(C)C1CCC(OCc2ccccc2)NC1.
What is the InChIKey of 5-tert-butyl-2-phenylmethoxypiperidine?
The InChIKey is SNSGNYMHDPEJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,3)14-9-10-15(17-11-14)18-12-13-7-5-4-6-8-13/h4-8,14-15,17H,9-12H2,1-3H3.
What are the key properties of 5-tert-butyl-2-phenylmethoxypiperidine?
5-tert-butyl-2-phenylmethoxypiperidine has a molecular weight of 247.38 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-phenylmethoxypiperidine is sourced from PubChem (CID 167076549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).