(3,4-difluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone

C17H22F2N2O — CID 172648907

IUPAC(3,4-difluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone
SMILESO=C(c1cc(F)c(F)c(C2CCNCC2)c1)N1CCCCC1
InChIInChI=1S/C17H22F2N2O/c18-15-11-13(17(22)21-8-2-1-3-9-21)10-14(16(15)19)12-4-6-20-7-5-12/h10-12,20H,1-9H2
InChIKeyNRTDVPOPNFATPK-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.06
Rot. Bonds2

About (3,4-difluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone

(3,4-difluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone (PubChem CID 172648907) has the molecular formula C17H22F2N2O and a molecular weight of 308.37 g/mol. Its IUPAC name is (3,4-difluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3,4-difluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone
PubChem CID172648907
Molecular FormulaC17H22F2N2O
Molecular Weight308.37 g/mol
Exact Mass308.17
IUPAC Name(3,4-difluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone
SMILESO=C(c1cc(F)c(F)c(C2CCNCC2)c1)N1CCCCC1
InChIInChI=1S/C17H22F2N2O/c18-15-11-13(17(22)21-8-2-1-3-9-21)10-14(16(15)19)12-4-6-20-7-5-12/h10-12,20H,1-9H2
InChIKeyNRTDVPOPNFATPK-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (3,4-difluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone (CID 172648907) is (3,4-difluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3,4-difluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (3,4-difluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone is O=C(c1cc(F)c(F)c(C2CCNCC2)c1)N1CCCCC1.
What is the InChIKey of (3,4-difluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone?
The InChIKey is NRTDVPOPNFATPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O/c18-15-11-13(17(22)21-8-2-1-3-9-21)10-14(16(15)19)12-4-6-20-7-5-12/h10-12,20H,1-9H2.
What are the key properties of (3,4-difluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone?
(3,4-difluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone has a molecular weight of 308.37 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 172648907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).