methyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate

C12H23N3O2 — CID 90717015

IUPACmethyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate
SMILESCOC(=O)CN1CCC(N2CCNCC2)CC1
InChIInChI=1S/C12H23N3O2/c1-17-12(16)10-14-6-2-11(3-7-14)15-8-4-13-5-9-15/h11,13H,2-10H2,1H3
InChIKeyZOUOSJLTDGKUAM-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.47
Rot. Bonds3

About methyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate

methyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate (PubChem CID 90717015) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is methyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate
PubChem CID90717015
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Namemethyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate
SMILESCOC(=O)CN1CCC(N2CCNCC2)CC1
InChIInChI=1S/C12H23N3O2/c1-17-12(16)10-14-6-2-11(3-7-14)15-8-4-13-5-9-15/h11,13H,2-10H2,1H3
InChIKeyZOUOSJLTDGKUAM-UHFFFAOYSA-N
XLogP-0.47
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-[methyl(piperidin-4-yl)amino]acetate dihydrochloride
CID 22378095
Methyl (4-amino-1-piperidinyl)acetate dihydrochloride
CID 44120477
Methyl 2-(3-aminopiperidin-1-yl)acetate dihydrochloride
CID 75527804
Methyl 2-{2,5-diazabicyclo[2.2.2]octan-2-yl}acetate dihydrochloride
CID 155970618
Methyl 2-(3-cyclopropylpiperazin-1-yl)acetate
CID 177798120
Butyl 2-(4-aminopiperidin-1-yl)acetate
CID 10608685
methyl 2-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate
CID 164633061
Methyl 2-(4-aminopiperidin-1-yl)acetate
CID 11435206
(3-Amino-piperidin-1-yl)-acetic acid methyl ester
CID 61295580
(1-Methyl-4-piperidin-4-ylpiperazin-2-yl) 2,2,2-trifluoroacetate
CID 153408588
(4-Piperidin-4-yl-1-propan-2-ylpiperazin-2-yl) 2,2,2-trifluoroacetate
CID 153408590
Methyl 2-[2,6-dimethyl-4-[5-(2,2,2-trifluoroethylamino)pentyl]piperazin-1-yl]acetate
CID 173504414

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate?
The IUPAC name of methyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate (CID 90717015) is methyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate?
The canonical SMILES for methyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate is COC(=O)CN1CCC(N2CCNCC2)CC1.
What is the InChIKey of methyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate?
The InChIKey is ZOUOSJLTDGKUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-17-12(16)10-14-6-2-11(3-7-14)15-8-4-13-5-9-15/h11,13H,2-10H2,1H3.
What are the key properties of methyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate?
methyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate has a molecular weight of 241.33 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate is sourced from PubChem (CID 90717015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).