ethyl 2-[4-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate

C15H29N3O2 — CID 58135859

IUPACethyl 2-[4-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(C)(N2CCN(C)CC2)CC1
InChIInChI=1S/C15H29N3O2/c1-4-20-14(19)13-17-7-5-15(2,6-8-17)18-11-9-16(3)10-12-18/h4-13H2,1-3H3
InChIKeyGFFRUVMSRIKZIX-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.65
Rot. Bonds4

About ethyl 2-[4-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate

ethyl 2-[4-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate (PubChem CID 58135859) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is ethyl 2-[4-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
PubChem CID58135859
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Nameethyl 2-[4-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(C)(N2CCN(C)CC2)CC1
InChIInChI=1S/C15H29N3O2/c1-4-20-14(19)13-17-7-5-15(2,6-8-17)18-11-9-16(3)10-12-18/h4-13H2,1-3H3
InChIKeyGFFRUVMSRIKZIX-UHFFFAOYSA-N
XLogP0.65
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(7-azaspiro[3.5]nonan-7-yl)acetate
CID 71244403
sodium;ethyl 2-[4,7,10-tris(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;iodide
CID 23722784
ethyl 2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetate
CID 65421003
ethyl 2-(azocan-1-yl)acetate
CID 25219274
ethyl 4-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxylate
CID 118534908
ethyl 2-[1-methyl-3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]acetate
CID 65422517
ethyl 2-(4-butylpiperazin-1-yl)acetate;dihydrochloride
CID 134088083
ethyl 3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 62922576
butyl 2-(4,4-dimethylpiperidin-1-yl)acetate
CID 62922575
3-[7-(carboxymethyl)-4,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid
CID 129038037
ethyl 4-(4-hydroxy-4-methylazepan-1-yl)-3-oxobutanoate
CID 107405359
butyl 2-(4-hydroxy-4-methylpiperidin-1-yl)acetate
CID 80702994

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate (CID 58135859) is ethyl 2-[4-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate is CCOC(=O)CN1CCC(C)(N2CCN(C)CC2)CC1.
What is the InChIKey of ethyl 2-[4-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate?
The InChIKey is GFFRUVMSRIKZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-4-20-14(19)13-17-7-5-15(2,6-8-17)18-11-9-16(3)10-12-18/h4-13H2,1-3H3.
What are the key properties of ethyl 2-[4-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate?
ethyl 2-[4-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate has a molecular weight of 283.42 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate is sourced from PubChem (CID 58135859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).