ethyl 2-[(3R)-3-methylpiperazin-1-yl]pentanoate

C12H24N2O2 — CID 104975735

IUPACethyl 2-[(3R)-3-methylpiperazin-1-yl]pentanoate
SMILESCCCC(C(=O)OCC)N1CCN[C@H](C)C1
InChIInChI=1S/C12H24N2O2/c1-4-6-11(12(15)16-5-2)14-8-7-13-10(3)9-14/h10-11,13H,4-9H2,1-3H3/t10-,11?/m1/s1
InChIKeyFDYDTQUXVYTJHJ-NFJWQWPMSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds5

About ethyl 2-[(3R)-3-methylpiperazin-1-yl]pentanoate

ethyl 2-[(3R)-3-methylpiperazin-1-yl]pentanoate (PubChem CID 104975735) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethyl 2-[(3R)-3-methylpiperazin-1-yl]pentanoate.

Molecular Properties

Compound Nameethyl 2-[(3R)-3-methylpiperazin-1-yl]pentanoate
PubChem CID104975735
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethyl 2-[(3R)-3-methylpiperazin-1-yl]pentanoate
SMILESCCCC(C(=O)OCC)N1CCN[C@H](C)C1
InChIInChI=1S/C12H24N2O2/c1-4-6-11(12(15)16-5-2)14-8-7-13-10(3)9-14/h10-11,13H,4-9H2,1-3H3/t10-,11?/m1/s1
InChIKeyFDYDTQUXVYTJHJ-NFJWQWPMSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-methylpiperazin-1-yl]butanamide
CID 104975725
ethyl 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate
CID 83048861
ethyl 2-(3-hydroxy-4-methylpiperidin-1-yl)pentanoate
CID 103898050
ethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate
CID 95346550
ethyl 2-(4-methylazepan-1-yl)pentanoate
CID 79002816
ethyl 2-(4-methylpiperazin-1-yl)pentanoate
CID 78964984
ethyl 2-thiomorpholin-4-ylpentanoate
CID 78964920
ethyl 2-[3-(aminomethyl)piperidin-1-yl]pentanoate
CID 83049640
ethyl 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pentanoate
CID 102682205
2-[(3S)-3-methylpiperazin-1-yl]propanamide
CID 104976739
ethyl 2-(3-methylpiperazin-1-yl)acetate
CID 65450169
ethyl 2-[2-(1-aminoethyl)morpholin-4-yl]pentanoate
CID 83048968

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3R)-3-methylpiperazin-1-yl]pentanoate?
The IUPAC name of ethyl 2-[(3R)-3-methylpiperazin-1-yl]pentanoate (CID 104975735) is ethyl 2-[(3R)-3-methylpiperazin-1-yl]pentanoate.
What is the SMILES notation for ethyl 2-[(3R)-3-methylpiperazin-1-yl]pentanoate?
The canonical SMILES for ethyl 2-[(3R)-3-methylpiperazin-1-yl]pentanoate is CCCC(C(=O)OCC)N1CCN[C@H](C)C1.
What is the InChIKey of ethyl 2-[(3R)-3-methylpiperazin-1-yl]pentanoate?
The InChIKey is FDYDTQUXVYTJHJ-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-6-11(12(15)16-5-2)14-8-7-13-10(3)9-14/h10-11,13H,4-9H2,1-3H3/t10-,11?/m1/s1.
What are the key properties of ethyl 2-[(3R)-3-methylpiperazin-1-yl]pentanoate?
ethyl 2-[(3R)-3-methylpiperazin-1-yl]pentanoate has a molecular weight of 228.34 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3R)-3-methylpiperazin-1-yl]pentanoate is sourced from PubChem (CID 104975735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).