tert-butyl (2Z)-2-[(E)-3-phenylprop-2-enylidene]piperidine-1-carboxylate

C19H25NO2 — CID 23251688

IUPACtert-butyl (2Z)-2-[(E)-3-phenylprop-2-enylidene]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC/C1=C/C=C/c1ccccc1
InChIInChI=1S/C19H25NO2/c1-19(2,3)22-18(21)20-15-8-7-13-17(20)14-9-12-16-10-5-4-6-11-16/h4-6,9-12,14H,7-8,13,15H2,1-3H3/b12-9+,17-14-
InChIKeyQVYCWWSJVSJKBI-XXBFHDLNSA-N
MW299.41 g/mol
LogP5.00
Rot. Bonds2

About tert-butyl (2Z)-2-[(E)-3-phenylprop-2-enylidene]piperidine-1-carboxylate

tert-butyl (2Z)-2-[(E)-3-phenylprop-2-enylidene]piperidine-1-carboxylate (PubChem CID 23251688) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl (2Z)-2-[(E)-3-phenylprop-2-enylidene]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2Z)-2-[(E)-3-phenylprop-2-enylidene]piperidine-1-carboxylate
PubChem CID23251688
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Nametert-butyl (2Z)-2-[(E)-3-phenylprop-2-enylidene]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC/C1=C/C=C/c1ccccc1
InChIInChI=1S/C19H25NO2/c1-19(2,3)22-18(21)20-15-8-7-13-17(20)14-9-12-16-10-5-4-6-11-16/h4-6,9-12,14H,7-8,13,15H2,1-3H3/b12-9+,17-14-
InChIKeyQVYCWWSJVSJKBI-XXBFHDLNSA-N
XLogP5.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.41
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tert-butyl 4-benzylpiperazine-1-carboxylate
CID 584330
Ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate
CID 783518
Ethyl 4-(2-phenylethyl)-1-piperazinecarboxylate
CID 783195
ethyl 4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine-1-carboxylate
CID 782678
tert-butyl N-[9-[[1-(2-phenylethyl)piperidin-4-yl]amino]nonyl]carbamate
CID 53318204
tert-butyl N-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]heptyl]carbamate
CID 53319561
tert-butyl N-[6-[[1-(2-phenylethyl)piperidin-4-yl]amino]hexyl]carbamate
CID 53320856
tert-butyl N-[12-[[1-(2-phenylethyl)piperidin-4-yl]amino]dodecyl]carbamate
CID 53324837
tert-butyl N-[8-[[1-(2-phenylethyl)piperidin-4-yl]amino]octyl]carbamate
CID 53326110
Ethyl 4-[3-(3-methylphenyl)prop-2-ynylidene]piperidine-1-carboxylate
CID 155518361
Ethyl 4-[3-(3-fluorophenyl)prop-2-ynylidene]piperidine-1-carboxylate
CID 155537411
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 3-methyl-4-methylene-8-(3-phenylpropyl)-
CID 3077244

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2Z)-2-[(E)-3-phenylprop-2-enylidene]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2Z)-2-[(E)-3-phenylprop-2-enylidene]piperidine-1-carboxylate (CID 23251688) is tert-butyl (2Z)-2-[(E)-3-phenylprop-2-enylidene]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2Z)-2-[(E)-3-phenylprop-2-enylidene]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2Z)-2-[(E)-3-phenylprop-2-enylidene]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC/C1=C/C=C/c1ccccc1.
What is the InChIKey of tert-butyl (2Z)-2-[(E)-3-phenylprop-2-enylidene]piperidine-1-carboxylate?
The InChIKey is QVYCWWSJVSJKBI-XXBFHDLNSA-N. The full InChI is InChI=1S/C19H25NO2/c1-19(2,3)22-18(21)20-15-8-7-13-17(20)14-9-12-16-10-5-4-6-11-16/h4-6,9-12,14H,7-8,13,15H2,1-3H3/b12-9+,17-14-.
What are the key properties of tert-butyl (2Z)-2-[(E)-3-phenylprop-2-enylidene]piperidine-1-carboxylate?
tert-butyl (2Z)-2-[(E)-3-phenylprop-2-enylidene]piperidine-1-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2Z)-2-[(E)-3-phenylprop-2-enylidene]piperidine-1-carboxylate is sourced from PubChem (CID 23251688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).