ethyl 2-[4-(pyrrolidin-2-ylmethyl)piperazin-1-yl]acetate

C13H25N3O2 — CID 23512541

IUPACethyl 2-[4-(pyrrolidin-2-ylmethyl)piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(CC2CCCN2)CC1
InChIInChI=1S/C13H25N3O2/c1-2-18-13(17)11-16-8-6-15(7-9-16)10-12-4-3-5-14-12/h12,14H,2-11H2,1H3
InChIKeyKCHQEPYLWGBXOQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.08
Rot. Bonds5

About ethyl 2-[4-(pyrrolidin-2-ylmethyl)piperazin-1-yl]acetate

ethyl 2-[4-(pyrrolidin-2-ylmethyl)piperazin-1-yl]acetate (PubChem CID 23512541) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is ethyl 2-[4-(pyrrolidin-2-ylmethyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(pyrrolidin-2-ylmethyl)piperazin-1-yl]acetate
PubChem CID23512541
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Nameethyl 2-[4-(pyrrolidin-2-ylmethyl)piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(CC2CCCN2)CC1
InChIInChI=1S/C13H25N3O2/c1-2-18-13(17)11-16-8-6-15(7-9-16)10-12-4-3-5-14-12/h12,14H,2-11H2,1H3
InChIKeyKCHQEPYLWGBXOQ-UHFFFAOYSA-N
XLogP-0.08
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(piperazin-1-yl)propanoate
CID 2736463
Ethyl 1-(propan-2-yl)piperazine-2-carboxylate
CID 10559962
Methyl 2-(3-aminopiperidin-1-yl)acetate dihydrochloride
CID 75527804
Butyl 2-(4-aminopiperidin-1-yl)acetate
CID 10608685
methyl 2-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate
CID 164633061
Ethyl 2-[4-[(4,4-difluoropyrrolidin-2-yl)methyl]piperazin-1-yl]acetate
CID 23511818
Ethyl 2-[4-[fluoro(pyrrolidin-2-yl)methyl]piperazin-1-yl]acetate
CID 23512030
(3-Amino-piperidin-1-yl)-acetic acid methyl ester
CID 61295580
ethyl 2-[4-[(S)-fluoro-[(2S)-pyrrolidin-2-yl]methyl]piperazin-1-yl]acetate
CID 141036423
ethyl 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]acetate
CID 153362138
(3,4-Diamino-pyrrolidin-1-yl)-acetic acid ethyl ester
CID 129869308
Methyl 2-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate
CID 83992626

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(pyrrolidin-2-ylmethyl)piperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(pyrrolidin-2-ylmethyl)piperazin-1-yl]acetate (CID 23512541) is ethyl 2-[4-(pyrrolidin-2-ylmethyl)piperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(pyrrolidin-2-ylmethyl)piperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(pyrrolidin-2-ylmethyl)piperazin-1-yl]acetate is CCOC(=O)CN1CCN(CC2CCCN2)CC1.
What is the InChIKey of ethyl 2-[4-(pyrrolidin-2-ylmethyl)piperazin-1-yl]acetate?
The InChIKey is KCHQEPYLWGBXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-2-18-13(17)11-16-8-6-15(7-9-16)10-12-4-3-5-14-12/h12,14H,2-11H2,1H3.
What are the key properties of ethyl 2-[4-(pyrrolidin-2-ylmethyl)piperazin-1-yl]acetate?
ethyl 2-[4-(pyrrolidin-2-ylmethyl)piperazin-1-yl]acetate has a molecular weight of 255.36 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(pyrrolidin-2-ylmethyl)piperazin-1-yl]acetate is sourced from PubChem (CID 23512541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).