benzyl 2-[6-(1-methoxyethyl)-3-pyridinyl]piperazine-1-carboxylate

C20H25N3O3 — CID 175918378

IUPACbenzyl 2-[6-(1-methoxyethyl)-3-pyridinyl]piperazine-1-carboxylate
SMILESCOC(C)c1ccc(C2CNCCN2C(=O)OCc2ccccc2)cn1
InChIInChI=1S/C20H25N3O3/c1-15(25-2)18-9-8-17(12-22-18)19-13-21-10-11-23(19)20(24)26-14-16-6-4-3-5-7-16/h3-9,12,15,19,21H,10-11,13-14H2,1-2H3
InChIKeyVWTSCIMQLWZPSQ-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.07
Rot. Bonds5

About benzyl 2-[6-(1-methoxyethyl)-3-pyridinyl]piperazine-1-carboxylate

benzyl 2-[6-(1-methoxyethyl)-3-pyridinyl]piperazine-1-carboxylate (PubChem CID 175918378) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is benzyl 2-[6-(1-methoxyethyl)-3-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[6-(1-methoxyethyl)-3-pyridinyl]piperazine-1-carboxylate
PubChem CID175918378
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Namebenzyl 2-[6-(1-methoxyethyl)-3-pyridinyl]piperazine-1-carboxylate
SMILESCOC(C)c1ccc(C2CNCCN2C(=O)OCc2ccccc2)cn1
InChIInChI=1S/C20H25N3O3/c1-15(25-2)18-9-8-17(12-22-18)19-13-21-10-11-23(19)20(24)26-14-16-6-4-3-5-7-16/h3-9,12,15,19,21H,10-11,13-14H2,1-2H3
InChIKeyVWTSCIMQLWZPSQ-UHFFFAOYSA-N
XLogP3.07
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-(methoxymethyl)piperazine-1-carboxylate
CID 141396583
1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate
CID 14751355
benzyl (2S)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
CID 45072579
benzyl 2-tert-butylpiperazine-1-carboxylate
CID 158296243
benzyl 2-(5H-cyclopenta[b]pyridin-6-yl)piperazine-1-carboxylate;hydrochloride
CID 159277113
benzyl 2-[(1S)-1-methoxyethyl]-6-pyridin-3-ylpiperazine-1-carboxylate
CID 175291873
benzyl 2-[6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate
CID 102539733
benzyl 2-(6-tert-butylsulfanyl-3-pyridinyl)piperidine-1-carboxylate
CID 102542217
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one
CID 120802542
benzyl (2R)-2-methyl-3-oxopiperazine-1-carboxylate
CID 72699156
benzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate
CID 54227046
ethyl 2-benzylpiperazine-1-carboxylate
CID 70103496

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[6-(1-methoxyethyl)-3-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of benzyl 2-[6-(1-methoxyethyl)-3-pyridinyl]piperazine-1-carboxylate (CID 175918378) is benzyl 2-[6-(1-methoxyethyl)-3-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for benzyl 2-[6-(1-methoxyethyl)-3-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for benzyl 2-[6-(1-methoxyethyl)-3-pyridinyl]piperazine-1-carboxylate is COC(C)c1ccc(C2CNCCN2C(=O)OCc2ccccc2)cn1.
What is the InChIKey of benzyl 2-[6-(1-methoxyethyl)-3-pyridinyl]piperazine-1-carboxylate?
The InChIKey is VWTSCIMQLWZPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15(25-2)18-9-8-17(12-22-18)19-13-21-10-11-23(19)20(24)26-14-16-6-4-3-5-7-16/h3-9,12,15,19,21H,10-11,13-14H2,1-2H3.
What are the key properties of benzyl 2-[6-(1-methoxyethyl)-3-pyridinyl]piperazine-1-carboxylate?
benzyl 2-[6-(1-methoxyethyl)-3-pyridinyl]piperazine-1-carboxylate has a molecular weight of 355.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[6-(1-methoxyethyl)-3-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 175918378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).