1-tert-butyl-4-(4-fluorophenyl)piperidin-4-ol

C15H22FNO — CID 58721778

IUPAC1-tert-butyl-4-(4-fluorophenyl)piperidin-4-ol
SMILESCC(C)(C)N1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FNO/c1-14(2,3)17-10-8-15(18,9-11-17)12-4-6-13(16)7-5-12/h4-7,18H,8-11H2,1-3H3
InChIKeyLRVBHFGNJVXHKM-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.91
Rot. Bonds1

About 1-tert-butyl-4-(4-fluorophenyl)piperidin-4-ol

1-tert-butyl-4-(4-fluorophenyl)piperidin-4-ol (PubChem CID 58721778) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-tert-butyl-4-(4-fluorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-tert-butyl-4-(4-fluorophenyl)piperidin-4-ol
PubChem CID58721778
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-tert-butyl-4-(4-fluorophenyl)piperidin-4-ol
SMILESCC(C)(C)N1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FNO/c1-14(2,3)17-10-8-15(18,9-11-17)12-4-6-13(16)7-5-12/h4-7,18H,8-11H2,1-3H3
InChIKeyLRVBHFGNJVXHKM-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(4-fluorophenyl)piperidin-4-ol?
The IUPAC name of 1-tert-butyl-4-(4-fluorophenyl)piperidin-4-ol (CID 58721778) is 1-tert-butyl-4-(4-fluorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-tert-butyl-4-(4-fluorophenyl)piperidin-4-ol?
The canonical SMILES for 1-tert-butyl-4-(4-fluorophenyl)piperidin-4-ol is CC(C)(C)N1CCC(O)(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-tert-butyl-4-(4-fluorophenyl)piperidin-4-ol?
The InChIKey is LRVBHFGNJVXHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-14(2,3)17-10-8-15(18,9-11-17)12-4-6-13(16)7-5-12/h4-7,18H,8-11H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(4-fluorophenyl)piperidin-4-ol?
1-tert-butyl-4-(4-fluorophenyl)piperidin-4-ol has a molecular weight of 251.34 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(4-fluorophenyl)piperidin-4-ol is sourced from PubChem (CID 58721778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).