ethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylate

C17H24N2O2 — CID 141095818

IUPACethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2cccc(N3CCN(C)CC3)c2)CC1
InChIInChI=1S/C17H24N2O2/c1-3-21-16(20)17(7-8-17)14-5-4-6-15(13-14)19-11-9-18(2)10-12-19/h4-6,13H,3,7-12H2,1-2H3
InChIKeyHYKQVDYPQKGTHB-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.03
Rot. Bonds4

About ethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylate

ethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylate (PubChem CID 141095818) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is ethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylate
PubChem CID141095818
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Nameethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2cccc(N3CCN(C)CC3)c2)CC1
InChIInChI=1S/C17H24N2O2/c1-3-21-16(20)17(7-8-17)14-5-4-6-15(13-14)19-11-9-18(2)10-12-19/h4-6,13H,3,7-12H2,1-2H3
InChIKeyHYKQVDYPQKGTHB-UHFFFAOYSA-N
XLogP2.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylate (CID 141095818) is ethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylate is CCOC(=O)C1(c2cccc(N3CCN(C)CC3)c2)CC1.
What is the InChIKey of ethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylate?
The InChIKey is HYKQVDYPQKGTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-21-16(20)17(7-8-17)14-5-4-6-15(13-14)19-11-9-18(2)10-12-19/h4-6,13H,3,7-12H2,1-2H3.
What are the key properties of ethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylate?
ethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 141095818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).