(4-cyano-3,5-difluorophenyl) N-tert-butyl-N-piperidin-4-ylcarbamate

C17H21F2N3O2 — CID 91283266

IUPAC(4-cyano-3,5-difluorophenyl) N-tert-butyl-N-piperidin-4-ylcarbamate
SMILESCC(C)(C)N(C(=O)Oc1cc(F)c(C#N)c(F)c1)C1CCNCC1
InChIInChI=1S/C17H21F2N3O2/c1-17(2,3)22(11-4-6-21-7-5-11)16(23)24-12-8-14(18)13(10-20)15(19)9-12/h8-9,11,21H,4-7H2,1-3H3
InChIKeyJCTNHQNFVXLLSR-UHFFFAOYSA-N
MW337.37 g/mol
LogP3.19
Rot. Bonds2

About (4-cyano-3,5-difluorophenyl) N-tert-butyl-N-piperidin-4-ylcarbamate

(4-cyano-3,5-difluorophenyl) N-tert-butyl-N-piperidin-4-ylcarbamate (PubChem CID 91283266) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is (4-cyano-3,5-difluorophenyl) N-tert-butyl-N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Name(4-cyano-3,5-difluorophenyl) N-tert-butyl-N-piperidin-4-ylcarbamate
PubChem CID91283266
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC Name(4-cyano-3,5-difluorophenyl) N-tert-butyl-N-piperidin-4-ylcarbamate
SMILESCC(C)(C)N(C(=O)Oc1cc(F)c(C#N)c(F)c1)C1CCNCC1
InChIInChI=1S/C17H21F2N3O2/c1-17(2,3)22(11-4-6-21-7-5-11)16(23)24-12-8-14(18)13(10-20)15(19)9-12/h8-9,11,21H,4-7H2,1-3H3
InChIKeyJCTNHQNFVXLLSR-UHFFFAOYSA-N
XLogP3.19
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyano-3,5-difluorophenyl) N-tert-butyl-N-piperidin-4-ylcarbamate?
The IUPAC name of (4-cyano-3,5-difluorophenyl) N-tert-butyl-N-piperidin-4-ylcarbamate (CID 91283266) is (4-cyano-3,5-difluorophenyl) N-tert-butyl-N-piperidin-4-ylcarbamate.
What is the SMILES notation for (4-cyano-3,5-difluorophenyl) N-tert-butyl-N-piperidin-4-ylcarbamate?
The canonical SMILES for (4-cyano-3,5-difluorophenyl) N-tert-butyl-N-piperidin-4-ylcarbamate is CC(C)(C)N(C(=O)Oc1cc(F)c(C#N)c(F)c1)C1CCNCC1.
What is the InChIKey of (4-cyano-3,5-difluorophenyl) N-tert-butyl-N-piperidin-4-ylcarbamate?
The InChIKey is JCTNHQNFVXLLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c1-17(2,3)22(11-4-6-21-7-5-11)16(23)24-12-8-14(18)13(10-20)15(19)9-12/h8-9,11,21H,4-7H2,1-3H3.
What are the key properties of (4-cyano-3,5-difluorophenyl) N-tert-butyl-N-piperidin-4-ylcarbamate?
(4-cyano-3,5-difluorophenyl) N-tert-butyl-N-piperidin-4-ylcarbamate has a molecular weight of 337.37 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyano-3,5-difluorophenyl) N-tert-butyl-N-piperidin-4-ylcarbamate is sourced from PubChem (CID 91283266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).