(1-tert-butylpiperidin-4-yl)-(2,4-difluorophenyl)methanol

C16H23F2NO — CID 118309422

IUPAC(1-tert-butylpiperidin-4-yl)-(2,4-difluorophenyl)methanol
SMILESCC(C)(C)N1CCC(C(O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H23F2NO/c1-16(2,3)19-8-6-11(7-9-19)15(20)13-5-4-12(17)10-14(13)18/h4-5,10-11,15,20H,6-9H2,1-3H3
InChIKeyBOYPTQOYXHHHEG-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.51
Rot. Bonds2

About (1-tert-butylpiperidin-4-yl)-(2,4-difluorophenyl)methanol

(1-tert-butylpiperidin-4-yl)-(2,4-difluorophenyl)methanol (PubChem CID 118309422) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is (1-tert-butylpiperidin-4-yl)-(2,4-difluorophenyl)methanol.

Molecular Properties

Compound Name(1-tert-butylpiperidin-4-yl)-(2,4-difluorophenyl)methanol
PubChem CID118309422
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name(1-tert-butylpiperidin-4-yl)-(2,4-difluorophenyl)methanol
SMILESCC(C)(C)N1CCC(C(O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H23F2NO/c1-16(2,3)19-8-6-11(7-9-19)15(20)13-5-4-12(17)10-14(13)18/h4-5,10-11,15,20H,6-9H2,1-3H3
InChIKeyBOYPTQOYXHHHEG-UHFFFAOYSA-N
XLogP3.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluorophenyl)-(oxan-4-yl)methanol
CID 62905509
(2,4-difluorophenyl)-(3-methylcyclopentyl)methanol
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1-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]ethanol
CID 111114048
tert-butyl 4-[(2,5-difluorophenyl)-hydroxymethyl]piperidine-1-carboxylate
CID 69344572
(2,4-difluorophenyl)-(oxan-3-yl)methanol
CID 63014562
cyclobutyl-(4-fluoro-2-methylphenyl)methanol
CID 64987002
cyclobutyl-(2-fluoro-4-methylphenyl)methanol
CID 115837888
cyclopentyl-(4-fluoro-2-methylphenyl)methanol
CID 62789449
(2-chloro-4-fluorophenyl)-cyclopropylmethanol
CID 58392404
cyclohexyl-(2-fluoro-4-methylphenyl)methanol
CID 115802084
1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine;ethane
CID 143435632
(R)-cycloheptyl-(2,5-difluorophenyl)methanol
CID 94502433

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylpiperidin-4-yl)-(2,4-difluorophenyl)methanol?
The IUPAC name of (1-tert-butylpiperidin-4-yl)-(2,4-difluorophenyl)methanol (CID 118309422) is (1-tert-butylpiperidin-4-yl)-(2,4-difluorophenyl)methanol.
What is the SMILES notation for (1-tert-butylpiperidin-4-yl)-(2,4-difluorophenyl)methanol?
The canonical SMILES for (1-tert-butylpiperidin-4-yl)-(2,4-difluorophenyl)methanol is CC(C)(C)N1CCC(C(O)c2ccc(F)cc2F)CC1.
What is the InChIKey of (1-tert-butylpiperidin-4-yl)-(2,4-difluorophenyl)methanol?
The InChIKey is BOYPTQOYXHHHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-16(2,3)19-8-6-11(7-9-19)15(20)13-5-4-12(17)10-14(13)18/h4-5,10-11,15,20H,6-9H2,1-3H3.
What are the key properties of (1-tert-butylpiperidin-4-yl)-(2,4-difluorophenyl)methanol?
(1-tert-butylpiperidin-4-yl)-(2,4-difluorophenyl)methanol has a molecular weight of 283.36 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylpiperidin-4-yl)-(2,4-difluorophenyl)methanol is sourced from PubChem (CID 118309422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).