[4-(4-fluoro-3-piperidin-4-ylphenyl)-2-methylbutan-2-yl] carbamate

C17H25FN2O2 — CID 142684654

IUPAC[4-(4-fluoro-3-piperidin-4-ylphenyl)-2-methylbutan-2-yl] carbamate
SMILESCC(C)(CCc1ccc(F)c(C2CCNCC2)c1)OC(N)=O
InChIInChI=1S/C17H25FN2O2/c1-17(2,22-16(19)21)8-5-12-3-4-15(18)14(11-12)13-6-9-20-10-7-13/h3-4,11,13,20H,5-10H2,1-2H3,(H2,19,21)
InChIKeyZZEVNXLNYIWKEX-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.10
Rot. Bonds5

About [4-(4-fluoro-3-piperidin-4-ylphenyl)-2-methylbutan-2-yl] carbamate

[4-(4-fluoro-3-piperidin-4-ylphenyl)-2-methylbutan-2-yl] carbamate (PubChem CID 142684654) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is [4-(4-fluoro-3-piperidin-4-ylphenyl)-2-methylbutan-2-yl] carbamate.

Molecular Properties

Compound Name[4-(4-fluoro-3-piperidin-4-ylphenyl)-2-methylbutan-2-yl] carbamate
PubChem CID142684654
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name[4-(4-fluoro-3-piperidin-4-ylphenyl)-2-methylbutan-2-yl] carbamate
SMILESCC(C)(CCc1ccc(F)c(C2CCNCC2)c1)OC(N)=O
InChIInChI=1S/C17H25FN2O2/c1-17(2,22-16(19)21)8-5-12-3-4-15(18)14(11-12)13-6-9-20-10-7-13/h3-4,11,13,20H,5-10H2,1-2H3,(H2,19,21)
InChIKeyZZEVNXLNYIWKEX-UHFFFAOYSA-N
XLogP3.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 23601101
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CID 49760833
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CID 59321362
CID 59321362
CID 49760176
CID 49760176
CID 86276729
CID 86276729
CID 39872120
CID 39872120
CID 86276703
CID 86276703
CID 121552686
CID 121552686
CID 138039882
CID 138039882
CID 145704742
CID 145704742
CID 145704744
CID 145704744
CID 145704748
CID 145704748

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoro-3-piperidin-4-ylphenyl)-2-methylbutan-2-yl] carbamate?
The IUPAC name of [4-(4-fluoro-3-piperidin-4-ylphenyl)-2-methylbutan-2-yl] carbamate (CID 142684654) is [4-(4-fluoro-3-piperidin-4-ylphenyl)-2-methylbutan-2-yl] carbamate.
What is the SMILES notation for [4-(4-fluoro-3-piperidin-4-ylphenyl)-2-methylbutan-2-yl] carbamate?
The canonical SMILES for [4-(4-fluoro-3-piperidin-4-ylphenyl)-2-methylbutan-2-yl] carbamate is CC(C)(CCc1ccc(F)c(C2CCNCC2)c1)OC(N)=O.
What is the InChIKey of [4-(4-fluoro-3-piperidin-4-ylphenyl)-2-methylbutan-2-yl] carbamate?
The InChIKey is ZZEVNXLNYIWKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-17(2,22-16(19)21)8-5-12-3-4-15(18)14(11-12)13-6-9-20-10-7-13/h3-4,11,13,20H,5-10H2,1-2H3,(H2,19,21).
What are the key properties of [4-(4-fluoro-3-piperidin-4-ylphenyl)-2-methylbutan-2-yl] carbamate?
[4-(4-fluoro-3-piperidin-4-ylphenyl)-2-methylbutan-2-yl] carbamate has a molecular weight of 308.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoro-3-piperidin-4-ylphenyl)-2-methylbutan-2-yl] carbamate is sourced from PubChem (CID 142684654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).