tert-butyl N-[3-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]phenyl]carbamate

C20H31FN2O2 — CID 118998315

IUPACtert-butyl N-[3-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]phenyl]carbamate
SMILESCC(C)(F)CN1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1
InChIInChI=1S/C20H31FN2O2/c1-19(2,3)25-18(24)22-17-8-6-7-16(13-17)15-9-11-23(12-10-15)14-20(4,5)21/h6-8,13,15H,9-12,14H2,1-5H3,(H,22,24)
InChIKeyVICDCZVVZJLPQH-UHFFFAOYSA-N
MW350.48 g/mol
LogP4.96
Rot. Bonds4

About tert-butyl N-[3-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]phenyl]carbamate

tert-butyl N-[3-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]phenyl]carbamate (PubChem CID 118998315) has the molecular formula C20H31FN2O2 and a molecular weight of 350.48 g/mol. Its IUPAC name is tert-butyl N-[3-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]phenyl]carbamate
PubChem CID118998315
Molecular FormulaC20H31FN2O2
Molecular Weight350.48 g/mol
Exact Mass350.24
IUPAC Nametert-butyl N-[3-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]phenyl]carbamate
SMILESCC(C)(F)CN1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1
InChIInChI=1S/C20H31FN2O2/c1-19(2,3)25-18(24)22-17-8-6-7-16(13-17)15-9-11-23(12-10-15)14-20(4,5)21/h6-8,13,15H,9-12,14H2,1-5H3,(H,22,24)
InChIKeyVICDCZVVZJLPQH-UHFFFAOYSA-N
XLogP4.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]carbamoyl]phenyl]carbamate
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tert-butyl N-[3-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate
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tert-butyl N-(3-ethoxyphenyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]phenyl]carbamate (CID 118998315) is tert-butyl N-[3-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]phenyl]carbamate is CC(C)(F)CN1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1.
What is the InChIKey of tert-butyl N-[3-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]phenyl]carbamate?
The InChIKey is VICDCZVVZJLPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN2O2/c1-19(2,3)25-18(24)22-17-8-6-7-16(13-17)15-9-11-23(12-10-15)14-20(4,5)21/h6-8,13,15H,9-12,14H2,1-5H3,(H,22,24).
What are the key properties of tert-butyl N-[3-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]phenyl]carbamate?
tert-butyl N-[3-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]phenyl]carbamate has a molecular weight of 350.48 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]phenyl]carbamate is sourced from PubChem (CID 118998315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).