1-tert-butyl-3-methyl-4-phenylpiperidin-4-ol

C16H25NO — CID 615965

IUPAC1-tert-butyl-3-methyl-4-phenylpiperidin-4-ol
SMILESCC1CN(C(C)(C)C)CCC1(O)c1ccccc1
InChIInChI=1S/C16H25NO/c1-13-12-17(15(2,3)4)11-10-16(13,18)14-8-6-5-7-9-14/h5-9,13,18H,10-12H2,1-4H3
InChIKeyBXLPAZLWXATNBH-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.01
Rot. Bonds1

About 1-tert-butyl-3-methyl-4-phenylpiperidin-4-ol

1-tert-butyl-3-methyl-4-phenylpiperidin-4-ol (PubChem CID 615965) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-tert-butyl-3-methyl-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-tert-butyl-3-methyl-4-phenylpiperidin-4-ol
PubChem CID615965
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-tert-butyl-3-methyl-4-phenylpiperidin-4-ol
SMILESCC1CN(C(C)(C)C)CCC1(O)c1ccccc1
InChIInChI=1S/C16H25NO/c1-13-12-17(15(2,3)4)11-10-16(13,18)14-8-6-5-7-9-14/h5-9,13,18H,10-12H2,1-4H3
InChIKeyBXLPAZLWXATNBH-UHFFFAOYSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methyl-4-phenylpiperidin-4-ol?
The IUPAC name of 1-tert-butyl-3-methyl-4-phenylpiperidin-4-ol (CID 615965) is 1-tert-butyl-3-methyl-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-tert-butyl-3-methyl-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-tert-butyl-3-methyl-4-phenylpiperidin-4-ol is CC1CN(C(C)(C)C)CCC1(O)c1ccccc1.
What is the InChIKey of 1-tert-butyl-3-methyl-4-phenylpiperidin-4-ol?
The InChIKey is BXLPAZLWXATNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-12-17(15(2,3)4)11-10-16(13,18)14-8-6-5-7-9-14/h5-9,13,18H,10-12H2,1-4H3.
What are the key properties of 1-tert-butyl-3-methyl-4-phenylpiperidin-4-ol?
1-tert-butyl-3-methyl-4-phenylpiperidin-4-ol has a molecular weight of 247.38 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methyl-4-phenylpiperidin-4-ol is sourced from PubChem (CID 615965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).