ethyl 1-(3,3,4-trimethylpent-1-en-2-yl)piperidine-4-carboxylate

C16H29NO2 — CID 129182710

IUPACethyl 1-(3,3,4-trimethylpent-1-en-2-yl)piperidine-4-carboxylate
SMILESC=C(N1CCC(C(=O)OCC)CC1)C(C)(C)C(C)C
InChIInChI=1S/C16H29NO2/c1-7-19-15(18)14-8-10-17(11-9-14)13(4)16(5,6)12(2)3/h12,14H,4,7-11H2,1-3,5-6H3
InChIKeyJHTTVQCVJCOZQL-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.46
Rot. Bonds5

About ethyl 1-(3,3,4-trimethylpent-1-en-2-yl)piperidine-4-carboxylate

ethyl 1-(3,3,4-trimethylpent-1-en-2-yl)piperidine-4-carboxylate (PubChem CID 129182710) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is ethyl 1-(3,3,4-trimethylpent-1-en-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3,3,4-trimethylpent-1-en-2-yl)piperidine-4-carboxylate
PubChem CID129182710
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Nameethyl 1-(3,3,4-trimethylpent-1-en-2-yl)piperidine-4-carboxylate
SMILESC=C(N1CCC(C(=O)OCC)CC1)C(C)(C)C(C)C
InChIInChI=1S/C16H29NO2/c1-7-19-15(18)14-8-10-17(11-9-14)13(4)16(5,6)12(2)3/h12,14H,4,7-11H2,1-3,5-6H3
InChIKeyJHTTVQCVJCOZQL-UHFFFAOYSA-N
XLogP3.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
ethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 43119956
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-[(2R)-2-chloropropanoyl]piperidine-4-carboxylate
CID 7063284
ethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate
CID 103693267
ethyl 1-[2-(tert-butylamino)acetyl]piperidine-4-carboxylate
CID 47010749
ethyl 1-butan-2-ylpiperidine-4-carboxylate
CID 62027270
ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 64685754
ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate
CID 4294885
ethyl 1-(3-chloro-2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 63679178
ethyl 1-(1-aminoethyl)piperidine-4-carboxylate
CID 142132349
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3,3,4-trimethylpent-1-en-2-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3,3,4-trimethylpent-1-en-2-yl)piperidine-4-carboxylate (CID 129182710) is ethyl 1-(3,3,4-trimethylpent-1-en-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3,3,4-trimethylpent-1-en-2-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3,3,4-trimethylpent-1-en-2-yl)piperidine-4-carboxylate is C=C(N1CCC(C(=O)OCC)CC1)C(C)(C)C(C)C.
What is the InChIKey of ethyl 1-(3,3,4-trimethylpent-1-en-2-yl)piperidine-4-carboxylate?
The InChIKey is JHTTVQCVJCOZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-7-19-15(18)14-8-10-17(11-9-14)13(4)16(5,6)12(2)3/h12,14H,4,7-11H2,1-3,5-6H3.
What are the key properties of ethyl 1-(3,3,4-trimethylpent-1-en-2-yl)piperidine-4-carboxylate?
ethyl 1-(3,3,4-trimethylpent-1-en-2-yl)piperidine-4-carboxylate has a molecular weight of 267.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3,3,4-trimethylpent-1-en-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 129182710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).