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

C14H21N3O2 — CID 134465394

IUPACethyl 2-[1-(pyridin-4-ylmethyl)piperazin-2-yl]acetate
SMILESCCOC(=O)CC1CNCCN1Cc1ccncc1
InChIInChI=1S/C14H21N3O2/c1-2-19-14(18)9-13-10-16-7-8-17(13)11-12-3-5-15-6-4-12/h3-6,13,16H,2,7-11H2,1H3
InChIKeyKQIDQEJUOMPSLX-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.81
Rot. Bonds5

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

ethyl 2-[1-(pyridin-4-ylmethyl)piperazin-2-yl]acetate (PubChem CID 134465394) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 2-[1-(pyridin-4-ylmethyl)piperazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(pyridin-4-ylmethyl)piperazin-2-yl]acetate
PubChem CID134465394
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nameethyl 2-[1-(pyridin-4-ylmethyl)piperazin-2-yl]acetate
SMILESCCOC(=O)CC1CNCCN1Cc1ccncc1
InChIInChI=1S/C14H21N3O2/c1-2-19-14(18)9-13-10-16-7-8-17(13)11-12-3-5-15-6-4-12/h3-6,13,16H,2,7-11H2,1H3
InChIKeyKQIDQEJUOMPSLX-UHFFFAOYSA-N
XLogP0.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-propyl-1-(pyridin-4-ylmethyl)piperazine
CID 64832934
ethyl 2-[4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate
CID 158088192
(2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 82756317
ethyl 1-(pyridin-4-ylmethyl)aziridine-2-carboxylate
CID 117009967
ethyl 2-piperidin-4-ylacetate;ethyl 2-pyridin-4-ylacetate
CID 157278253
ethyl 2-(1-benzylimidazolidin-2-yl)acetate
CID 134875618
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
ethyl 2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 1382900
2-ethoxyethyl 2-[1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;2-ethoxyethyl 2-[(2S)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;2-ethoxyethyl 2-[(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate;ethyl 2-[(2R)-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate
CID 161098224
ethyl 1-[(4-chlorophenyl)methyl]piperazine-2-carboxylate
CID 10850510
ethyl 1-benzylpiperazine-2-carboxylate;hydrochloride
CID 53487540
ethyl 2-[(2R)-1-benzhydrylpiperazin-2-yl]acetate;dihydrochloride
CID 178079830

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(pyridin-4-ylmethyl)piperazin-2-yl]acetate?
The IUPAC name of ethyl 2-[1-(pyridin-4-ylmethyl)piperazin-2-yl]acetate (CID 134465394) is ethyl 2-[1-(pyridin-4-ylmethyl)piperazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(pyridin-4-ylmethyl)piperazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-(pyridin-4-ylmethyl)piperazin-2-yl]acetate is CCOC(=O)CC1CNCCN1Cc1ccncc1.
What is the InChIKey of ethyl 2-[1-(pyridin-4-ylmethyl)piperazin-2-yl]acetate?
The InChIKey is KQIDQEJUOMPSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-19-14(18)9-13-10-16-7-8-17(13)11-12-3-5-15-6-4-12/h3-6,13,16H,2,7-11H2,1H3.
What are the key properties of ethyl 2-[1-(pyridin-4-ylmethyl)piperazin-2-yl]acetate?
ethyl 2-[1-(pyridin-4-ylmethyl)piperazin-2-yl]acetate has a molecular weight of 263.34 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(pyridin-4-ylmethyl)piperazin-2-yl]acetate is sourced from PubChem (CID 134465394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).