1-tert-butyl-3,3-difluoro-4-methoxypiperidine

C10H19F2NO — CID 146520406

IUPAC1-tert-butyl-3,3-difluoro-4-methoxypiperidine
SMILESCOC1CCN(C(C)(C)C)CC1(F)F
InChIInChI=1S/C10H19F2NO/c1-9(2,3)13-6-5-8(14-4)10(11,12)7-13/h8H,5-7H2,1-4H3
InChIKeyODUVXTCSIHVXKT-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.14
Rot. Bonds1

About 1-tert-butyl-3,3-difluoro-4-methoxypiperidine

1-tert-butyl-3,3-difluoro-4-methoxypiperidine (PubChem CID 146520406) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 1-tert-butyl-3,3-difluoro-4-methoxypiperidine.

Molecular Properties

Compound Name1-tert-butyl-3,3-difluoro-4-methoxypiperidine
PubChem CID146520406
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name1-tert-butyl-3,3-difluoro-4-methoxypiperidine
SMILESCOC1CCN(C(C)(C)C)CC1(F)F
InChIInChI=1S/C10H19F2NO/c1-9(2,3)13-6-5-8(14-4)10(11,12)7-13/h8H,5-7H2,1-4H3
InChIKeyODUVXTCSIHVXKT-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-ditert-butyl-3,3,5,5-tetrafluoropiperidine
CID 177072830
3-[2-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)propan-2-yl]-1,3-oxazinane
CID 138525344
1-tert-butyl-3,3-difluoro-4-(2-pyrrolidin-1-ylpropyl)azepane
CID 135275105
5-(6-aminopyrimidin-4-yl)-2-(1-tert-butyl-3,3-difluoropiperidin-4-yl)oxybenzonitrile
CID 138562234
5-tert-butyl-5-azaspiro[2.5]octan-8-ol
CID 130291196
5-tert-butyl-5-azaspiro[2.5]octan-8-amine
CID 160902227
[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-(5-methyl-1,2,4-triazolidin-3-yl)methanone
CID 139353552
1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-fluoropiperidine;methane
CID 157282567
1-[(3S)-1-tert-butylpyrrolidin-3-yl]-3,3-difluoropyrrolidine
CID 167291973
5-tert-butyl-3a,6a-difluoro-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 176993044
[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazolidin-3-yl]methanone
CID 121247092
1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylpyrrolidine
CID 157050293

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,3-difluoro-4-methoxypiperidine?
The IUPAC name of 1-tert-butyl-3,3-difluoro-4-methoxypiperidine (CID 146520406) is 1-tert-butyl-3,3-difluoro-4-methoxypiperidine.
What is the SMILES notation for 1-tert-butyl-3,3-difluoro-4-methoxypiperidine?
The canonical SMILES for 1-tert-butyl-3,3-difluoro-4-methoxypiperidine is COC1CCN(C(C)(C)C)CC1(F)F.
What is the InChIKey of 1-tert-butyl-3,3-difluoro-4-methoxypiperidine?
The InChIKey is ODUVXTCSIHVXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-9(2,3)13-6-5-8(14-4)10(11,12)7-13/h8H,5-7H2,1-4H3.
What are the key properties of 1-tert-butyl-3,3-difluoro-4-methoxypiperidine?
1-tert-butyl-3,3-difluoro-4-methoxypiperidine has a molecular weight of 207.26 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,3-difluoro-4-methoxypiperidine is sourced from PubChem (CID 146520406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).