4-tert-butyl-1-phenylmethoxypiperidine

C16H25NO — CID 12722207

IUPAC4-tert-butyl-1-phenylmethoxypiperidine
SMILESCC(C)(C)C1CCN(OCc2ccccc2)CC1
InChIInChI=1S/C16H25NO/c1-16(2,3)15-9-11-17(12-10-15)18-13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3
InChIKeyBNMZONQXUHEPNO-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.88
Rot. Bonds3

About 4-tert-butyl-1-phenylmethoxypiperidine

4-tert-butyl-1-phenylmethoxypiperidine (PubChem CID 12722207) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-tert-butyl-1-phenylmethoxypiperidine.

Molecular Properties

Compound Name4-tert-butyl-1-phenylmethoxypiperidine
PubChem CID12722207
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-tert-butyl-1-phenylmethoxypiperidine
SMILESCC(C)(C)C1CCN(OCc2ccccc2)CC1
InChIInChI=1S/C16H25NO/c1-16(2,3)15-9-11-17(12-10-15)18-13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3
InChIKeyBNMZONQXUHEPNO-UHFFFAOYSA-N
XLogP3.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylphenyl)-1-phenylmethoxypiperidine
CID 57061277
N,3-dimethyl-1-phenylmethoxypiperidin-4-amine
CID 130653478
cyclopropyl-(4-phenylmethoxypiperazin-1-yl)methanone
CID 118075267
4-tert-butyl-1-phenylpiperidine
CID 612454
1-phenylmethoxyazetidin-3-amine
CID 162036959
(4-tert-butyl-1-phenylmethoxycyclohexyl)methanamine
CID 63473711
(2R,4S)-4-tert-butyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 15485548
N,N-dimethyl-1-[5-(1-phenylmethoxypiperidin-4-yl)thiophen-3-yl]methanamine
CID 174408869
ethyl 2-oxo-6-(1-phenylmethoxypiperidin-4-yl)hexanoate
CID 22168407
2,2,2-trifluoro-1-(4-fluoro-1-phenylmethoxypiperidin-4-yl)ethanol
CID 67403133
1-benzyl-4-(4-tert-butylcyclohexyl)piperazine
CID 2846257
5-tert-butyl-2-phenylmethoxypiperidine
CID 167076549

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-phenylmethoxypiperidine?
The IUPAC name of 4-tert-butyl-1-phenylmethoxypiperidine (CID 12722207) is 4-tert-butyl-1-phenylmethoxypiperidine.
What is the SMILES notation for 4-tert-butyl-1-phenylmethoxypiperidine?
The canonical SMILES for 4-tert-butyl-1-phenylmethoxypiperidine is CC(C)(C)C1CCN(OCc2ccccc2)CC1.
What is the InChIKey of 4-tert-butyl-1-phenylmethoxypiperidine?
The InChIKey is BNMZONQXUHEPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,3)15-9-11-17(12-10-15)18-13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3.
What are the key properties of 4-tert-butyl-1-phenylmethoxypiperidine?
4-tert-butyl-1-phenylmethoxypiperidine has a molecular weight of 247.38 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-phenylmethoxypiperidine is sourced from PubChem (CID 12722207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).