tert-butyl 4-fluoro-4-(5-propan-2-yl-1,2-dihydropyridin-3-yl)piperidine-1-carboxylate

C18H29FN2O2 — CID 165132459

IUPACtert-butyl 4-fluoro-4-(5-propan-2-yl-1,2-dihydropyridin-3-yl)piperidine-1-carboxylate
SMILESCC(C)C1=CNCC(C2(F)CCN(C(=O)OC(C)(C)C)CC2)=C1
InChIInChI=1S/C18H29FN2O2/c1-13(2)14-10-15(12-20-11-14)18(19)6-8-21(9-7-18)16(22)23-17(3,4)5/h10-11,13,20H,6-9,12H2,1-5H3
InChIKeyOCAJUIQIXQKOPD-UHFFFAOYSA-N
MW324.44 g/mol
LogP3.80
Rot. Bonds2

About tert-butyl 4-fluoro-4-(5-propan-2-yl-1,2-dihydropyridin-3-yl)piperidine-1-carboxylate

tert-butyl 4-fluoro-4-(5-propan-2-yl-1,2-dihydropyridin-3-yl)piperidine-1-carboxylate (PubChem CID 165132459) has the molecular formula C18H29FN2O2 and a molecular weight of 324.44 g/mol. Its IUPAC name is tert-butyl 4-fluoro-4-(5-propan-2-yl-1,2-dihydropyridin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-fluoro-4-(5-propan-2-yl-1,2-dihydropyridin-3-yl)piperidine-1-carboxylate
PubChem CID165132459
Molecular FormulaC18H29FN2O2
Molecular Weight324.44 g/mol
Exact Mass324.22
IUPAC Nametert-butyl 4-fluoro-4-(5-propan-2-yl-1,2-dihydropyridin-3-yl)piperidine-1-carboxylate
SMILESCC(C)C1=CNCC(C2(F)CCN(C(=O)OC(C)(C)C)CC2)=C1
InChIInChI=1S/C18H29FN2O2/c1-13(2)14-10-15(12-20-11-14)18(19)6-8-21(9-7-18)16(22)23-17(3,4)5/h10-11,13,20H,6-9,12H2,1-5H3
InChIKeyOCAJUIQIXQKOPD-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate
CID 67059992
tert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate
CID 69455005
tert-butyl 4-[4-[ethoxy(methoxy)methyl]-3-methoxyphenyl]-4-fluoropiperidine-1-carboxylate
CID 166152923
tert-butyl 4-carbonofluoridoyl-4-methylpiperidine-1-carboxylate
CID 145108017
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
tert-butyl 4-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate
CID 163385509
tert-butyl 4-[(1S)-1-(3,5-difluorophenyl)ethyl]-4-fluoropiperidine-1-carboxylate
CID 163385674
tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride
CID 91828194
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpiperidine-4-carboxylic acid
CID 45073939
tert-butyl 4-cyano-4-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate
CID 155344135
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 4-amino-4-(cyclopropylmethyl)piperidine-1-carboxylate
CID 86276716

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-fluoro-4-(5-propan-2-yl-1,2-dihydropyridin-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-fluoro-4-(5-propan-2-yl-1,2-dihydropyridin-3-yl)piperidine-1-carboxylate (CID 165132459) is tert-butyl 4-fluoro-4-(5-propan-2-yl-1,2-dihydropyridin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-fluoro-4-(5-propan-2-yl-1,2-dihydropyridin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-fluoro-4-(5-propan-2-yl-1,2-dihydropyridin-3-yl)piperidine-1-carboxylate is CC(C)C1=CNCC(C2(F)CCN(C(=O)OC(C)(C)C)CC2)=C1.
What is the InChIKey of tert-butyl 4-fluoro-4-(5-propan-2-yl-1,2-dihydropyridin-3-yl)piperidine-1-carboxylate?
The InChIKey is OCAJUIQIXQKOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2O2/c1-13(2)14-10-15(12-20-11-14)18(19)6-8-21(9-7-18)16(22)23-17(3,4)5/h10-11,13,20H,6-9,12H2,1-5H3.
What are the key properties of tert-butyl 4-fluoro-4-(5-propan-2-yl-1,2-dihydropyridin-3-yl)piperidine-1-carboxylate?
tert-butyl 4-fluoro-4-(5-propan-2-yl-1,2-dihydropyridin-3-yl)piperidine-1-carboxylate has a molecular weight of 324.44 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-fluoro-4-(5-propan-2-yl-1,2-dihydropyridin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 165132459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).