tert-butyl 4-[1-[(Z)-3-phenylprop-2-enoxy]ethyl]piperidine-1-carboxylate

C21H31NO3 — CID 70052022

IUPACtert-butyl 4-[1-[(Z)-3-phenylprop-2-enoxy]ethyl]piperidine-1-carboxylate
SMILESCC(OC/C=C\c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H31NO3/c1-17(24-16-8-11-18-9-6-5-7-10-18)19-12-14-22(15-13-19)20(23)25-21(2,3)4/h5-11,17,19H,12-16H2,1-4H3/b11-8-
InChIKeyREOLFEYBNGLMPR-FLIBITNWSA-N
MW345.48 g/mol
LogP4.75
Rot. Bonds5

About tert-butyl 4-[1-[(Z)-3-phenylprop-2-enoxy]ethyl]piperidine-1-carboxylate

tert-butyl 4-[1-[(Z)-3-phenylprop-2-enoxy]ethyl]piperidine-1-carboxylate (PubChem CID 70052022) has the molecular formula C21H31NO3 and a molecular weight of 345.48 g/mol. Its IUPAC name is tert-butyl 4-[1-[(Z)-3-phenylprop-2-enoxy]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-[(Z)-3-phenylprop-2-enoxy]ethyl]piperidine-1-carboxylate
PubChem CID70052022
Molecular FormulaC21H31NO3
Molecular Weight345.48 g/mol
Exact Mass345.23
IUPAC Nametert-butyl 4-[1-[(Z)-3-phenylprop-2-enoxy]ethyl]piperidine-1-carboxylate
SMILESCC(OC/C=C\c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H31NO3/c1-17(24-16-8-11-18-9-6-5-7-10-18)19-12-14-22(15-13-19)20(23)25-21(2,3)4/h5-11,17,19H,12-16H2,1-4H3/b11-8-
InChIKeyREOLFEYBNGLMPR-FLIBITNWSA-N
XLogP4.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-[4-[1-[(E)-3-phenylprop-2-enoxy]ethyl]piperidin-1-yl]methanone
CID 19022848
tert-butyl 4-[1-(3-phenylprop-2-ynoxy)ethyl]piperidine-1-carboxylate
CID 19022859
tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate
CID 11818626
tert-butyl 4-(4-phenylbut-3-enyl)piperazine-1-carboxylate
CID 77144706
tert-butyl 4-[(2S)-2-amino-2-phenylethyl]piperidine-1-carboxylate
CID 124671052
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186
tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane
CID 155573661
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
[(Z)-but-1-enyl]benzene;tert-butyl 4-[(cyclopropylamino)methyl]-4-hydroxypiperidine-1-carboxylate
CID 145176235
tert-butyl 4-[(1S)-2-oxo-1-phenylselanylethyl]piperidine-1-carboxylate
CID 139266573
2-(benzylamino)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
CID 134231640

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-[(Z)-3-phenylprop-2-enoxy]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-[(Z)-3-phenylprop-2-enoxy]ethyl]piperidine-1-carboxylate (CID 70052022) is tert-butyl 4-[1-[(Z)-3-phenylprop-2-enoxy]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-[(Z)-3-phenylprop-2-enoxy]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-[(Z)-3-phenylprop-2-enoxy]ethyl]piperidine-1-carboxylate is CC(OC/C=C\c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[1-[(Z)-3-phenylprop-2-enoxy]ethyl]piperidine-1-carboxylate?
The InChIKey is REOLFEYBNGLMPR-FLIBITNWSA-N. The full InChI is InChI=1S/C21H31NO3/c1-17(24-16-8-11-18-9-6-5-7-10-18)19-12-14-22(15-13-19)20(23)25-21(2,3)4/h5-11,17,19H,12-16H2,1-4H3/b11-8-.
What are the key properties of tert-butyl 4-[1-[(Z)-3-phenylprop-2-enoxy]ethyl]piperidine-1-carboxylate?
tert-butyl 4-[1-[(Z)-3-phenylprop-2-enoxy]ethyl]piperidine-1-carboxylate has a molecular weight of 345.48 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-[(Z)-3-phenylprop-2-enoxy]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 70052022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).