(1-tert-butylpiperidin-3-yl)-(3-fluorophenyl)methanol

C16H24FNO — CID 68900380

IUPAC(1-tert-butylpiperidin-3-yl)-(3-fluorophenyl)methanol
SMILESCC(C)(C)N1CCCC(C(O)c2cccc(F)c2)C1
InChIInChI=1S/C16H24FNO/c1-16(2,3)18-9-5-7-13(11-18)15(19)12-6-4-8-14(17)10-12/h4,6,8,10,13,15,19H,5,7,9,11H2,1-3H3
InChIKeyLNUGTIVXCUXHNZ-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.37
Rot. Bonds2

About (1-tert-butylpiperidin-3-yl)-(3-fluorophenyl)methanol

(1-tert-butylpiperidin-3-yl)-(3-fluorophenyl)methanol (PubChem CID 68900380) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is (1-tert-butylpiperidin-3-yl)-(3-fluorophenyl)methanol.

Molecular Properties

Compound Name(1-tert-butylpiperidin-3-yl)-(3-fluorophenyl)methanol
PubChem CID68900380
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name(1-tert-butylpiperidin-3-yl)-(3-fluorophenyl)methanol
SMILESCC(C)(C)N1CCCC(C(O)c2cccc(F)c2)C1
InChIInChI=1S/C16H24FNO/c1-16(2,3)18-9-5-7-13(11-18)15(19)12-6-4-8-14(17)10-12/h4,6,8,10,13,15,19H,5,7,9,11H2,1-3H3
InChIKeyLNUGTIVXCUXHNZ-UHFFFAOYSA-N
XLogP3.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butylpiperidin-3-yl)-(3-fluorophenyl)methanol?
The IUPAC name of (1-tert-butylpiperidin-3-yl)-(3-fluorophenyl)methanol (CID 68900380) is (1-tert-butylpiperidin-3-yl)-(3-fluorophenyl)methanol.
What is the SMILES notation for (1-tert-butylpiperidin-3-yl)-(3-fluorophenyl)methanol?
The canonical SMILES for (1-tert-butylpiperidin-3-yl)-(3-fluorophenyl)methanol is CC(C)(C)N1CCCC(C(O)c2cccc(F)c2)C1.
What is the InChIKey of (1-tert-butylpiperidin-3-yl)-(3-fluorophenyl)methanol?
The InChIKey is LNUGTIVXCUXHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-16(2,3)18-9-5-7-13(11-18)15(19)12-6-4-8-14(17)10-12/h4,6,8,10,13,15,19H,5,7,9,11H2,1-3H3.
What are the key properties of (1-tert-butylpiperidin-3-yl)-(3-fluorophenyl)methanol?
(1-tert-butylpiperidin-3-yl)-(3-fluorophenyl)methanol has a molecular weight of 265.37 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylpiperidin-3-yl)-(3-fluorophenyl)methanol is sourced from PubChem (CID 68900380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).