2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate

C16H22FNO3 — CID 68837389

IUPAC2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C16H22FNO3/c1-12(2)11-20-16(19)18-8-6-14(7-9-18)21-15-5-3-4-13(17)10-15/h3-5,10,12,14H,6-9,11H2,1-2H3
InChIKeyGKAPKNCPBMCSHF-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.46
Rot. Bonds4

About 2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate

2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate (PubChem CID 68837389) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate
PubChem CID68837389
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C16H22FNO3/c1-12(2)11-20-16(19)18-8-6-14(7-9-18)21-15-5-3-4-13(17)10-15/h3-5,10,12,14H,6-9,11H2,1-2H3
InChIKeyGKAPKNCPBMCSHF-UHFFFAOYSA-N
XLogP3.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 4-(3-fluoroanilino)piperidine-1-carboxylate
CID 68797431
methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70728293
2-[4-(3-fluorophenoxy)piperidin-1-yl]butanoic acid
CID 138037841
2-amino-1-[4-(3-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 154895868
(2S)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-hydroxy-4-methylsulfanylbutan-1-one
CID 95860958
2-methylpropyl 4-(1H-indol-4-yloxy)piperidine-1-carboxylate
CID 68843107
2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone
CID 91830744
3-(benzimidazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-methylpropan-1-one
CID 46968504
tert-butyl 4-[3-[(1R)-1-hydroxyethyl]phenoxy]piperidine-1-carboxylate
CID 124636293
2-methylpropyl 4-[(4-carbamoyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 145027304
2-methylpropyl 4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 60555488
2-[4-(3-fluorophenoxy)piperidin-1-yl]-N-prop-2-enylacetamide
CID 91829203

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate (CID 68837389) is 2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(Oc2cccc(F)c2)CC1.
What is the InChIKey of 2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate?
The InChIKey is GKAPKNCPBMCSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-12(2)11-20-16(19)18-8-6-14(7-9-18)21-15-5-3-4-13(17)10-15/h3-5,10,12,14H,6-9,11H2,1-2H3.
What are the key properties of 2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate?
2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate has a molecular weight of 295.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate is sourced from PubChem (CID 68837389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).