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-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate
CID 69424198
methyl 4-(3-piperazin-1-ylpyrrolidin-1-yl)butanoate
CID 112739454
tert-butyl 2-[4-[(4-piperazin-1-ylpiperidin-1-yl)methyl]piperidin-1-yl]acetate
CID 163378049
methyl 3-(3-piperazin-1-ylazetidin-1-yl)propanoate
CID 66197137
methyl 2-(4-bromopiperidin-1-yl)acetate
CID 156858791
methyl 2-[10-(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]acetate
CID 22889204
ethyl 2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]acetate;ethyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate;dihydrate
CID 159626806
methyl 2-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]acetate
CID 61029365
1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-one
CID 58870209
methyl 2-[2,6-dimethyl-4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenoxy]acetate
CID 120967454
methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate
CID 63365238
methyl 2-[2,6-dimethyl-4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenoxy]acetate;hydrochloride
CID 120967453

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).