tert-butyl N-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate

C17H25FN2O2 — CID 142832619

IUPACtert-butyl N-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate
SMILESCc1cc(F)ccc1N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H25FN2O2/c1-12-11-13(18)5-6-15(12)20-9-7-14(8-10-20)19-16(21)22-17(2,3)4/h5-6,11,14H,7-10H2,1-4H3,(H,19,21)
InChIKeyFPJNSGMMCBDCFS-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.63
Rot. Bonds2

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

tert-butyl N-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate (PubChem CID 142832619) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is tert-butyl N-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate
PubChem CID142832619
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Nametert-butyl N-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate
SMILESCc1cc(F)ccc1N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H25FN2O2/c1-12-11-13(18)5-6-15(12)20-9-7-14(8-10-20)19-16(21)22-17(2,3)4/h5-6,11,14H,7-10H2,1-4H3,(H,19,21)
InChIKeyFPJNSGMMCBDCFS-UHFFFAOYSA-N
XLogP3.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate (CID 142832619) is tert-butyl N-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate is Cc1cc(F)ccc1N1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate?
The InChIKey is FPJNSGMMCBDCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-12-11-13(18)5-6-15(12)20-9-7-14(8-10-20)19-16(21)22-17(2,3)4/h5-6,11,14H,7-10H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate has a molecular weight of 308.40 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 142832619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).