tert-butyl 4-[(Z)-3-(4-cyanophenyl)prop-2-enyl]piperidine-1-carboxylate

C20H26N2O2 — CID 68715497

IUPACtert-butyl 4-[(Z)-3-(4-cyanophenyl)prop-2-enyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C/C=C\c2ccc(C#N)cc2)CC1
InChIInChI=1S/C20H26N2O2/c1-20(2,3)24-19(23)22-13-11-17(12-14-22)6-4-5-16-7-9-18(15-21)10-8-16/h4-5,7-10,17H,6,11-14H2,1-3H3/b5-4-
InChIKeyNIPVBSVWHNIVMZ-PLNGDYQASA-N
MW326.44 g/mol
LogP4.61
Rot. Bonds3

About tert-butyl 4-[(Z)-3-(4-cyanophenyl)prop-2-enyl]piperidine-1-carboxylate

tert-butyl 4-[(Z)-3-(4-cyanophenyl)prop-2-enyl]piperidine-1-carboxylate (PubChem CID 68715497) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is tert-butyl 4-[(Z)-3-(4-cyanophenyl)prop-2-enyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(Z)-3-(4-cyanophenyl)prop-2-enyl]piperidine-1-carboxylate
PubChem CID68715497
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Nametert-butyl 4-[(Z)-3-(4-cyanophenyl)prop-2-enyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C/C=C\c2ccc(C#N)cc2)CC1
InChIInChI=1S/C20H26N2O2/c1-20(2,3)24-19(23)22-13-11-17(12-14-22)6-4-5-16-7-9-18(15-21)10-8-16/h4-5,7-10,17H,6,11-14H2,1-3H3/b5-4-
InChIKeyNIPVBSVWHNIVMZ-PLNGDYQASA-N
XLogP4.61
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[3-(4-fluorophenyl)prop-2-enyl]piperidine-1-carboxylate
CID 76625784
tert-butyl 4-(3-pyridin-4-ylprop-2-enyl)piperidine-1-carboxylate
CID 66673725
tert-butyl 4-[2-(4-cyanophenoxy)ethyl]piperidine-1-carboxylate
CID 23034009
4-[(E)-3-cyclopropylprop-1-enyl]benzonitrile
CID 150509370
tert-butyl 4-[3-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]propyl]piperidine-1-carboxylate
CID 142200925
tert-butyl 4-[4-(3-cyano-4-methylsulfanylphenyl)but-3-enyl]piperidine-1-carboxylate
CID 67082466
tert-butyl 4-[(4-cyanophenyl)methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 39860083
tert-butyl 4-prop-2-enylpiperidine-1-carboxylate
CID 11117722
tert-butyl 4-[[4-(3-cyanophenyl)piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 15947412
tert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate
CID 15503387
tert-butyl 4-(2-oxoethyl)piperidine-1-carboxylate;styrene
CID 135078914
tert-butyl 4-[1-(4-cyanophenyl)piperidin-4-yl]piperazine-1-carboxylate
CID 139714834

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(Z)-3-(4-cyanophenyl)prop-2-enyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(Z)-3-(4-cyanophenyl)prop-2-enyl]piperidine-1-carboxylate (CID 68715497) is tert-butyl 4-[(Z)-3-(4-cyanophenyl)prop-2-enyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(Z)-3-(4-cyanophenyl)prop-2-enyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(Z)-3-(4-cyanophenyl)prop-2-enyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C/C=C\c2ccc(C#N)cc2)CC1.
What is the InChIKey of tert-butyl 4-[(Z)-3-(4-cyanophenyl)prop-2-enyl]piperidine-1-carboxylate?
The InChIKey is NIPVBSVWHNIVMZ-PLNGDYQASA-N. The full InChI is InChI=1S/C20H26N2O2/c1-20(2,3)24-19(23)22-13-11-17(12-14-22)6-4-5-16-7-9-18(15-21)10-8-16/h4-5,7-10,17H,6,11-14H2,1-3H3/b5-4-.
What are the key properties of tert-butyl 4-[(Z)-3-(4-cyanophenyl)prop-2-enyl]piperidine-1-carboxylate?
tert-butyl 4-[(Z)-3-(4-cyanophenyl)prop-2-enyl]piperidine-1-carboxylate has a molecular weight of 326.44 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(Z)-3-(4-cyanophenyl)prop-2-enyl]piperidine-1-carboxylate is sourced from PubChem (CID 68715497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).