2-piperidin-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate;hydrochloride

C16H24ClNO2 — CID 138401507

IUPAC2-piperidin-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate;hydrochloride
SMILESCl.O=C(CC1C=CC=CC=C1)OCCN1CCCCC1
InChIInChI=1S/C16H23NO2.ClH/c18-16(14-15-8-4-1-2-5-9-15)19-13-12-17-10-6-3-7-11-17;/h1-2,4-5,8-9,15H,3,6-7,10-14H2;1H
InChIKeyGNGIKMMPMRYRKN-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.13
Rot. Bonds5

About 2-piperidin-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate;hydrochloride

2-piperidin-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate;hydrochloride (PubChem CID 138401507) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate;hydrochloride.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate;hydrochloride
PubChem CID138401507
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name2-piperidin-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate;hydrochloride
SMILESCl.O=C(CC1C=CC=CC=C1)OCCN1CCCCC1
InChIInChI=1S/C16H23NO2.ClH/c18-16(14-15-8-4-1-2-5-9-15)19-13-12-17-10-6-3-7-11-17;/h1-2,4-5,8-9,15H,3,6-7,10-14H2;1H
InChIKeyGNGIKMMPMRYRKN-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-piperidin-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate;hydrochloride with MolForge

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Related Compounds

bis(2-piperidin-1-ylethyl) butanedioate
CID 71369193
2-piperidin-1-ylethyl 2-chloroacetate
CID 12849131
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CID 162508900
1-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine
CID 101011722
2-piperidin-1-ylethyl hexanoate
CID 59204070
2-piperidin-1-ylethyl heptadecanoate
CID 118631056
2-piperidin-1-ylethyl adamantane-2-carboxylate
CID 59383787
2-piperidin-1-ylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 22955728
2-(azepan-1-yl)ethyl 3,3-diphenylpropanoate;oxalic acid
CID 54582119
2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride
CID 13478099
2-pyrrolidin-1-ylethyl 2-(4-aminophenyl)acetate
CID 89180853
2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride
CID 6602660

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate;hydrochloride?
The IUPAC name of 2-piperidin-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate;hydrochloride (CID 138401507) is 2-piperidin-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate;hydrochloride.
What is the SMILES notation for 2-piperidin-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate;hydrochloride?
The canonical SMILES for 2-piperidin-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate;hydrochloride is Cl.O=C(CC1C=CC=CC=C1)OCCN1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate;hydrochloride?
The InChIKey is GNGIKMMPMRYRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2.ClH/c18-16(14-15-8-4-1-2-5-9-15)19-13-12-17-10-6-3-7-11-17;/h1-2,4-5,8-9,15H,3,6-7,10-14H2;1H.
What are the key properties of 2-piperidin-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate;hydrochloride?
2-piperidin-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate;hydrochloride is sourced from PubChem (CID 138401507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).