1-tert-butyl-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenylpiperidine

C21H32F2N2 — CID 118531544

IUPAC1-tert-butyl-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenylpiperidine
SMILESCC(C)(C)N1CCC(CN2CCC(F)(F)CC2)(c2ccccc2)CC1
InChIInChI=1S/C21H32F2N2/c1-19(2,3)25-15-9-20(10-16-25,18-7-5-4-6-8-18)17-24-13-11-21(22,23)12-14-24/h4-8H,9-17H2,1-3H3
InChIKeyFBBPDHMZXAFVFP-UHFFFAOYSA-N
MW350.50 g/mol
LogP4.55
Rot. Bonds3

About 1-tert-butyl-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenylpiperidine

1-tert-butyl-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenylpiperidine (PubChem CID 118531544) has the molecular formula C21H32F2N2 and a molecular weight of 350.50 g/mol. Its IUPAC name is 1-tert-butyl-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenylpiperidine.

Molecular Properties

Compound Name1-tert-butyl-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenylpiperidine
PubChem CID118531544
Molecular FormulaC21H32F2N2
Molecular Weight350.50 g/mol
Exact Mass350.25
IUPAC Name1-tert-butyl-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenylpiperidine
SMILESCC(C)(C)N1CCC(CN2CCC(F)(F)CC2)(c2ccccc2)CC1
InChIInChI=1S/C21H32F2N2/c1-19(2,3)25-15-9-20(10-16-25,18-7-5-4-6-8-18)17-24-13-11-21(22,23)12-14-24/h4-8H,9-17H2,1-3H3
InChIKeyFBBPDHMZXAFVFP-UHFFFAOYSA-N
XLogP4.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenylpiperidine?
The IUPAC name of 1-tert-butyl-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenylpiperidine (CID 118531544) is 1-tert-butyl-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenylpiperidine.
What is the SMILES notation for 1-tert-butyl-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenylpiperidine?
The canonical SMILES for 1-tert-butyl-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenylpiperidine is CC(C)(C)N1CCC(CN2CCC(F)(F)CC2)(c2ccccc2)CC1.
What is the InChIKey of 1-tert-butyl-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenylpiperidine?
The InChIKey is FBBPDHMZXAFVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32F2N2/c1-19(2,3)25-15-9-20(10-16-25,18-7-5-4-6-8-18)17-24-13-11-21(22,23)12-14-24/h4-8H,9-17H2,1-3H3.
What are the key properties of 1-tert-butyl-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenylpiperidine?
1-tert-butyl-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenylpiperidine has a molecular weight of 350.50 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenylpiperidine is sourced from PubChem (CID 118531544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).