tert-butyl 4-ethenyl-4-phenylpiperidine-1-carboxylate

C18H25NO2 — CID 25133272

IUPACtert-butyl 4-ethenyl-4-phenylpiperidine-1-carboxylate
SMILESC=CC1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H25NO2/c1-5-18(15-9-7-6-8-10-15)11-13-19(14-12-18)16(20)21-17(2,3)4/h5-10H,1,11-14H2,2-4H3
InChIKeyOBCWXDUHOHTWAW-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.14
Rot. Bonds2

About tert-butyl 4-ethenyl-4-phenylpiperidine-1-carboxylate

tert-butyl 4-ethenyl-4-phenylpiperidine-1-carboxylate (PubChem CID 25133272) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is tert-butyl 4-ethenyl-4-phenylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-ethenyl-4-phenylpiperidine-1-carboxylate
PubChem CID25133272
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Nametert-butyl 4-ethenyl-4-phenylpiperidine-1-carboxylate
SMILESC=CC1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H25NO2/c1-5-18(15-9-7-6-8-10-15)11-13-19(14-12-18)16(20)21-17(2,3)4/h5-10H,1,11-14H2,2-4H3
InChIKeyOBCWXDUHOHTWAW-UHFFFAOYSA-N
XLogP4.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 70992618
tert-butyl 4-(dimethylcarbamoyl)-4-phenylpiperidine-1-carboxylate
CID 158985906
tert-butyl 4-phenyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate
CID 22741767
tert-butyl 4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 67422951
tert-butyl 4-(1-amino-2-oxopropyl)-4-phenylpiperidine-1-carboxylate
CID 66863325
tert-butyl 4-formyl-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 139270563
tert-butyl 4-(morpholine-4-carbonyl)-4-phenylpiperidine-1-carboxylate
CID 67341747
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpiperidine-4-carboxylic acid
CID 54382242
1-azabicyclo[2.2.2]octane;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 145196353
tert-butyl 9-(azetidin-1-yl)-9-phenyl-3-azaspiro[5.5]undecane-3-carboxylate
CID 67354921
tert-butyl 4-iodo-4-phenoxypiperidine-1-carboxylate
CID 121429990
2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylpyrrolidin-3-yl]acetic acid
CID 42544072

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-ethenyl-4-phenylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-ethenyl-4-phenylpiperidine-1-carboxylate (CID 25133272) is tert-butyl 4-ethenyl-4-phenylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-ethenyl-4-phenylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-ethenyl-4-phenylpiperidine-1-carboxylate is C=CC1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-ethenyl-4-phenylpiperidine-1-carboxylate?
The InChIKey is OBCWXDUHOHTWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-5-18(15-9-7-6-8-10-15)11-13-19(14-12-18)16(20)21-17(2,3)4/h5-10H,1,11-14H2,2-4H3.
What are the key properties of tert-butyl 4-ethenyl-4-phenylpiperidine-1-carboxylate?
tert-butyl 4-ethenyl-4-phenylpiperidine-1-carboxylate has a molecular weight of 287.40 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-ethenyl-4-phenylpiperidine-1-carboxylate is sourced from PubChem (CID 25133272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).