5-tert-butyl-1-(cyclopentylmethyl)-3,3-difluoropiperidine

C15H27F2N — CID 122493820

IUPAC5-tert-butyl-1-(cyclopentylmethyl)-3,3-difluoropiperidine
SMILESCC(C)(C)C1CN(CC2CCCC2)CC(F)(F)C1
InChIInChI=1S/C15H27F2N/c1-14(2,3)13-8-15(16,17)11-18(10-13)9-12-6-4-5-7-12/h12-13H,4-11H2,1-3H3
InChIKeyDFWXYUPSMTVHBS-UHFFFAOYSA-N
MW259.38 g/mol
LogP4.18
Rot. Bonds2

About 5-tert-butyl-1-(cyclopentylmethyl)-3,3-difluoropiperidine

5-tert-butyl-1-(cyclopentylmethyl)-3,3-difluoropiperidine (PubChem CID 122493820) has the molecular formula C15H27F2N and a molecular weight of 259.38 g/mol. Its IUPAC name is 5-tert-butyl-1-(cyclopentylmethyl)-3,3-difluoropiperidine.

Molecular Properties

Compound Name5-tert-butyl-1-(cyclopentylmethyl)-3,3-difluoropiperidine
PubChem CID122493820
Molecular FormulaC15H27F2N
Molecular Weight259.38 g/mol
Exact Mass259.21
IUPAC Name5-tert-butyl-1-(cyclopentylmethyl)-3,3-difluoropiperidine
SMILESCC(C)(C)C1CN(CC2CCCC2)CC(F)(F)C1
InChIInChI=1S/C15H27F2N/c1-14(2,3)13-8-15(16,17)11-18(10-13)9-12-6-4-5-7-12/h12-13H,4-11H2,1-3H3
InChIKeyDFWXYUPSMTVHBS-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(cyclopentylmethyl)-3,3-difluoropiperidine?
The IUPAC name of 5-tert-butyl-1-(cyclopentylmethyl)-3,3-difluoropiperidine (CID 122493820) is 5-tert-butyl-1-(cyclopentylmethyl)-3,3-difluoropiperidine.
What is the SMILES notation for 5-tert-butyl-1-(cyclopentylmethyl)-3,3-difluoropiperidine?
The canonical SMILES for 5-tert-butyl-1-(cyclopentylmethyl)-3,3-difluoropiperidine is CC(C)(C)C1CN(CC2CCCC2)CC(F)(F)C1.
What is the InChIKey of 5-tert-butyl-1-(cyclopentylmethyl)-3,3-difluoropiperidine?
The InChIKey is DFWXYUPSMTVHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2N/c1-14(2,3)13-8-15(16,17)11-18(10-13)9-12-6-4-5-7-12/h12-13H,4-11H2,1-3H3.
What are the key properties of 5-tert-butyl-1-(cyclopentylmethyl)-3,3-difluoropiperidine?
5-tert-butyl-1-(cyclopentylmethyl)-3,3-difluoropiperidine has a molecular weight of 259.38 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(cyclopentylmethyl)-3,3-difluoropiperidine is sourced from PubChem (CID 122493820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).