2-(4-methylpiperazin-1-yl)ethyl naphthalene-1-carboxylate

C18H22N2O2 — CID 171343955

IUPAC2-(4-methylpiperazin-1-yl)ethyl naphthalene-1-carboxylate
SMILESCN1CCN(CCOC(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C18H22N2O2/c1-19-9-11-20(12-10-19)13-14-22-18(21)17-8-4-6-15-5-2-3-7-16(15)17/h2-8H,9-14H2,1H3
InChIKeyIEJMYUYSFPAOOH-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.24
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)ethyl naphthalene-1-carboxylate

2-(4-methylpiperazin-1-yl)ethyl naphthalene-1-carboxylate (PubChem CID 171343955) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)ethyl naphthalene-1-carboxylate.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)ethyl naphthalene-1-carboxylate
PubChem CID171343955
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-(4-methylpiperazin-1-yl)ethyl naphthalene-1-carboxylate
SMILESCN1CCN(CCOC(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C18H22N2O2/c1-19-9-11-20(12-10-19)13-14-22-18(21)17-8-4-6-15-5-2-3-7-16(15)17/h2-8H,9-14H2,1H3
InChIKeyIEJMYUYSFPAOOH-UHFFFAOYSA-N
XLogP2.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpiperazin-1-yl)ethyl 3-amino-2-chlorobenzoate
CID 115936102
2-(4-methylpiperazin-1-yl)ethyl 2-amino-3-chlorobenzoate
CID 82892124
2-(4-methylpiperazin-1-yl)ethyl 2,4-diaminobenzoate
CID 82891589
2-piperidin-1-ylethyl 2-hydroxybenzoate
CID 12633972
2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride
CID 13478099
2-(4-methylpiperazin-1-yl)ethyl 5-amino-2-fluorobenzoate
CID 82891975
azane;dodecyl naphthalene-1-carboxylate
CID 172795658
2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride
CID 6602660
2-pyrrolidin-1-ylethyl 3-amino-2-methylbenzoate
CID 107913340
sodium;hydride;3-hydroxypropyl naphthalene-1-carboxylate
CID 174690004
3-phenoxypropyl naphthalene-1-carboxylate
CID 71029614
3-(4-methylpiperazin-1-yl)propyl 1-benzofuran-2-carboxylate
CID 171343952

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)ethyl naphthalene-1-carboxylate?
The IUPAC name of 2-(4-methylpiperazin-1-yl)ethyl naphthalene-1-carboxylate (CID 171343955) is 2-(4-methylpiperazin-1-yl)ethyl naphthalene-1-carboxylate.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)ethyl naphthalene-1-carboxylate?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)ethyl naphthalene-1-carboxylate is CN1CCN(CCOC(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)ethyl naphthalene-1-carboxylate?
The InChIKey is IEJMYUYSFPAOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-19-9-11-20(12-10-19)13-14-22-18(21)17-8-4-6-15-5-2-3-7-16(15)17/h2-8H,9-14H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)ethyl naphthalene-1-carboxylate?
2-(4-methylpiperazin-1-yl)ethyl naphthalene-1-carboxylate has a molecular weight of 298.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)ethyl naphthalene-1-carboxylate is sourced from PubChem (CID 171343955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).