tert-butyl N-[4-(4-fluorophenyl)piperidin-3-yl]carbamate

C16H23FN2O2 — CID 122360424

IUPACtert-butyl N-[4-(4-fluorophenyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CNCCC1c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)19-14-10-18-9-8-13(14)11-4-6-12(17)7-5-11/h4-7,13-14,18H,8-10H2,1-3H3,(H,19,20)
InChIKeyJIGWOQRYVVMPAI-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.80
Rot. Bonds2

About tert-butyl N-[4-(4-fluorophenyl)piperidin-3-yl]carbamate

tert-butyl N-[4-(4-fluorophenyl)piperidin-3-yl]carbamate (PubChem CID 122360424) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is tert-butyl N-[4-(4-fluorophenyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-fluorophenyl)piperidin-3-yl]carbamate
PubChem CID122360424
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Nametert-butyl N-[4-(4-fluorophenyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CNCCC1c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)19-14-10-18-9-8-13(14)11-4-6-12(17)7-5-11/h4-7,13-14,18H,8-10H2,1-3H3,(H,19,20)
InChIKeyJIGWOQRYVVMPAI-UHFFFAOYSA-N
XLogP2.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(3S,4S)-4-(4-methoxyphenyl)piperidin-3-yl]carbamate
CID 140853603
tert-butyl N-[(3R)-4-[4-(hydroxymethyl)phenyl]piperidin-3-yl]carbamate
CID 134359003
2,2,2-trifluoro-N-[(3R,4S)-4-(4-fluorophenyl)piperidin-3-yl]acetamide
CID 97184037
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604
tert-butyl N-[(4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118297090
tert-butyl N-[(3S,4R)-4-(3,4-difluorophenyl)pyrrolidin-3-yl]carbamate
CID 123677655
tert-butyl N-[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]carbamate
CID 95240515
tert-butyl N-(4-hydroxypiperidin-3-yl)carbamate;oxalic acid
CID 138108864
[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
CID 69017541
tert-butyl N-[2-[(4-fluorophenyl)methylamino]cyclopentyl]carbamate
CID 103917287
tert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride
CID 155892811
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-fluorophenyl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-fluorophenyl)piperidin-3-yl]carbamate (CID 122360424) is tert-butyl N-[4-(4-fluorophenyl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-fluorophenyl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-fluorophenyl)piperidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CNCCC1c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[4-(4-fluorophenyl)piperidin-3-yl]carbamate?
The InChIKey is JIGWOQRYVVMPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)19-14-10-18-9-8-13(14)11-4-6-12(17)7-5-11/h4-7,13-14,18H,8-10H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[4-(4-fluorophenyl)piperidin-3-yl]carbamate?
tert-butyl N-[4-(4-fluorophenyl)piperidin-3-yl]carbamate has a molecular weight of 294.37 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-fluorophenyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 122360424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).