cyclohexa-1,5-dien-1-ylmethyl 5-methylpiperidine-2-carboxylate

C14H21NO2 — CID 145375430

IUPACcyclohexa-1,5-dien-1-ylmethyl 5-methylpiperidine-2-carboxylate
SMILESCC1CCC(C(=O)OCC2=CCCC=C2)NC1
InChIInChI=1S/C14H21NO2/c1-11-7-8-13(15-9-11)14(16)17-10-12-5-3-2-4-6-12/h3,5-6,11,13,15H,2,4,7-10H2,1H3
InChIKeyBOHNESNRZSTVNO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.19
Rot. Bonds3

About cyclohexa-1,5-dien-1-ylmethyl 5-methylpiperidine-2-carboxylate

cyclohexa-1,5-dien-1-ylmethyl 5-methylpiperidine-2-carboxylate (PubChem CID 145375430) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-ylmethyl 5-methylpiperidine-2-carboxylate.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-ylmethyl 5-methylpiperidine-2-carboxylate
PubChem CID145375430
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namecyclohexa-1,5-dien-1-ylmethyl 5-methylpiperidine-2-carboxylate
SMILESCC1CCC(C(=O)OCC2=CCCC=C2)NC1
InChIInChI=1S/C14H21NO2/c1-11-7-8-13(15-9-11)14(16)17-10-12-5-3-2-4-6-12/h3,5-6,11,13,15H,2,4,7-10H2,1H3
InChIKeyBOHNESNRZSTVNO-UHFFFAOYSA-N
XLogP2.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexa-1,5-dien-1-ylmethyl 4-amino-2,2,3,3-tetramethylbutanoate
CID 142457192
cyclohexa-1,5-dien-1-ylmethyl N-(2-methylpropyl)carbamate
CID 155132308
cyclohexa-1,5-dien-1-ylmethyl 2-formylpyrrolidine-1-carboxylate
CID 142850854
cyclohexa-1,5-dien-1-ylmethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate
CID 143746438
cyclohexa-1,5-dien-1-ylmethyl acetate;1,3-oxazolidin-2-one
CID 163245221
(5R)-5-methylpiperidine-2-carboxylic acid;hydrochloride
CID 173291135
cyclohexa-1,5-dien-1-ylmethyl N-(2-oxocyclohexyl)carbamate
CID 143473828
2-cyclohexa-1,5-dien-1-ylethyl 2,2-dimethylpropanoate
CID 91165512
cyclohexa-1,5-dien-1-ylmethyl (2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate
CID 143395298
2-(cyclohexa-1,5-dien-1-ylmethoxy)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 142532065
benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 70673934
2-(cyclohexa-1,5-dien-1-ylmethoxycarbonylamino)butanedioic acid
CID 22094676

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-ylmethyl 5-methylpiperidine-2-carboxylate?
The IUPAC name of cyclohexa-1,5-dien-1-ylmethyl 5-methylpiperidine-2-carboxylate (CID 145375430) is cyclohexa-1,5-dien-1-ylmethyl 5-methylpiperidine-2-carboxylate.
What is the SMILES notation for cyclohexa-1,5-dien-1-ylmethyl 5-methylpiperidine-2-carboxylate?
The canonical SMILES for cyclohexa-1,5-dien-1-ylmethyl 5-methylpiperidine-2-carboxylate is CC1CCC(C(=O)OCC2=CCCC=C2)NC1.
What is the InChIKey of cyclohexa-1,5-dien-1-ylmethyl 5-methylpiperidine-2-carboxylate?
The InChIKey is BOHNESNRZSTVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-7-8-13(15-9-11)14(16)17-10-12-5-3-2-4-6-12/h3,5-6,11,13,15H,2,4,7-10H2,1H3.
What are the key properties of cyclohexa-1,5-dien-1-ylmethyl 5-methylpiperidine-2-carboxylate?
cyclohexa-1,5-dien-1-ylmethyl 5-methylpiperidine-2-carboxylate has a molecular weight of 235.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-ylmethyl 5-methylpiperidine-2-carboxylate is sourced from PubChem (CID 145375430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).