ethyl 1-piperidin-4-ylpiperazine-2-carboxylate

C12H23N3O2 — CID 141178631

IUPACethyl 1-piperidin-4-ylpiperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1C1CCNCC1
InChIInChI=1S/C12H23N3O2/c1-2-17-12(16)11-9-14-7-8-15(11)10-3-5-13-6-4-10/h10-11,13-14H,2-9H2,1H3
InChIKeySSGZMPUWRCKWRP-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.42
Rot. Bonds3

About ethyl 1-piperidin-4-ylpiperazine-2-carboxylate

ethyl 1-piperidin-4-ylpiperazine-2-carboxylate (PubChem CID 141178631) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethyl 1-piperidin-4-ylpiperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-piperidin-4-ylpiperazine-2-carboxylate
PubChem CID141178631
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Nameethyl 1-piperidin-4-ylpiperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1C1CCNCC1
InChIInChI=1S/C12H23N3O2/c1-2-17-12(16)11-9-14-7-8-15(11)10-3-5-13-6-4-10/h10-11,13-14H,2-9H2,1H3
InChIKeySSGZMPUWRCKWRP-UHFFFAOYSA-N
XLogP-0.42
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(3-propan-2-ylcyclohexyl)piperazine-2-carboxylate
CID 107449520
ethyl 1-(2,2-dimethylcyclopentyl)piperazine-2-carboxylate
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ethyl 1-piperidin-3-ylpyrrolidine-2-carboxylate
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ethyl (5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate
CID 10965477
ethyl 1-(2-cycloheptylacetyl)piperazine-2-carboxylate
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ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-4-carboxylate
CID 68891069
ethyl (3R)-pyrrolidine-3-carboxylate
CID 53488454
ethyl 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperazine-2-carboxylate
CID 83059443
ethyl (3S,4R)-3-methylpiperidine-4-carboxylate
CID 27282207
ethyl (3S,4S)-3-methylpiperidine-4-carboxylate
CID 27282210
cyclopropylmethyl 1-piperidin-4-ylpyrrolidine-2-carboxylate
CID 61150843
ethyl 1-(2-methoxypropanoyl)piperazine-2-carboxylate
CID 113265828

Frequently Asked Questions

What is the IUPAC name of ethyl 1-piperidin-4-ylpiperazine-2-carboxylate?
The IUPAC name of ethyl 1-piperidin-4-ylpiperazine-2-carboxylate (CID 141178631) is ethyl 1-piperidin-4-ylpiperazine-2-carboxylate.
What is the SMILES notation for ethyl 1-piperidin-4-ylpiperazine-2-carboxylate?
The canonical SMILES for ethyl 1-piperidin-4-ylpiperazine-2-carboxylate is CCOC(=O)C1CNCCN1C1CCNCC1.
What is the InChIKey of ethyl 1-piperidin-4-ylpiperazine-2-carboxylate?
The InChIKey is SSGZMPUWRCKWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-2-17-12(16)11-9-14-7-8-15(11)10-3-5-13-6-4-10/h10-11,13-14H,2-9H2,1H3.
What are the key properties of ethyl 1-piperidin-4-ylpiperazine-2-carboxylate?
ethyl 1-piperidin-4-ylpiperazine-2-carboxylate has a molecular weight of 241.33 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-piperidin-4-ylpiperazine-2-carboxylate is sourced from PubChem (CID 141178631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).