4-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-methylbutanamide

C23H28F2N2O2 — CID 19992320

IUPAC4-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-methylbutanamide
SMILESCNC(=O)CCCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H28F2N2O2/c1-26-22(28)3-2-14-27-15-12-19(13-16-27)23(29,17-4-8-20(24)9-5-17)18-6-10-21(25)11-7-18/h4-11,19,29H,2-3,12-16H2,1H3,(H,26,28)
InChIKeyZHEBPHBGNGPGFB-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.44
Rot. Bonds7

About 4-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-methylbutanamide

4-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-methylbutanamide (PubChem CID 19992320) has the molecular formula C23H28F2N2O2 and a molecular weight of 402.49 g/mol. Its IUPAC name is 4-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-methylbutanamide.

Molecular Properties

Compound Name4-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-methylbutanamide
PubChem CID19992320
Molecular FormulaC23H28F2N2O2
Molecular Weight402.49 g/mol
Exact Mass402.21
IUPAC Name4-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-methylbutanamide
SMILESCNC(=O)CCCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H28F2N2O2/c1-26-22(28)3-2-14-27-15-12-19(13-16-27)23(29,17-4-8-20(24)9-5-17)18-6-10-21(25)11-7-18/h4-11,19,29H,2-3,12-16H2,1H3,(H,26,28)
InChIKeyZHEBPHBGNGPGFB-UHFFFAOYSA-N
XLogP3.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-methylbutanamide?
The IUPAC name of 4-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-methylbutanamide (CID 19992320) is 4-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-methylbutanamide.
What is the SMILES notation for 4-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-methylbutanamide?
The canonical SMILES for 4-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-methylbutanamide is CNC(=O)CCCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-methylbutanamide?
The InChIKey is ZHEBPHBGNGPGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O2/c1-26-22(28)3-2-14-27-15-12-19(13-16-27)23(29,17-4-8-20(24)9-5-17)18-6-10-21(25)11-7-18/h4-11,19,29H,2-3,12-16H2,1H3,(H,26,28).
What are the key properties of 4-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-methylbutanamide?
4-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-methylbutanamide has a molecular weight of 402.49 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-methylbutanamide is sourced from PubChem (CID 19992320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).