phenyl 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride

C17H20ClN3O3 — CID 90643561

IUPACphenyl 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride
SMILESCl.O=C(Oc1ccccc1)N1CCNCC1COc1cccnc1
InChIInChI=1S/C17H19N3O3.ClH/c21-17(23-15-5-2-1-3-6-15)20-10-9-19-11-14(20)13-22-16-7-4-8-18-12-16;/h1-8,12,14,19H,9-11,13H2;1H
InChIKeyYKNNEQJHGBFXHK-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.36
Rot. Bonds4

About phenyl 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride

phenyl 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride (PubChem CID 90643561) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is phenyl 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namephenyl 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride
PubChem CID90643561
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Namephenyl 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride
SMILESCl.O=C(Oc1ccccc1)N1CCNCC1COc1cccnc1
InChIInChI=1S/C17H19N3O3.ClH/c21-17(23-15-5-2-1-3-6-15)20-10-9-19-11-14(20)13-22-16-7-4-8-18-12-16;/h1-8,12,14,19H,9-11,13H2;1H
InChIKeyYKNNEQJHGBFXHK-UHFFFAOYSA-N
XLogP2.36
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromophenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate
CID 24878117
(2-chlorophenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate
CID 24878113
4-O-tert-butyl 1-O-phenyl 2-(pyridin-3-yloxymethyl)piperazine-1,4-dicarboxylate;phenyl 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;dihydrochloride
CID 158847293
2-phenoxy-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone
CID 66797340
N-(4-phenylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643580
N-(4-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797636
(5-phenylthiophen-2-yl)-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanone;dihydrochloride
CID 66796546
N-(4-benzoylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797042
(5-phenylfuran-2-yl)-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanone;dihydrochloride
CID 66796692
N-(2-fluorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 66796663
N-(4-chlorophenyl)-N-methyl-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797456
N-(2-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878232

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride?
The IUPAC name of phenyl 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride (CID 90643561) is phenyl 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for phenyl 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride?
The canonical SMILES for phenyl 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride is Cl.O=C(Oc1ccccc1)N1CCNCC1COc1cccnc1.
What is the InChIKey of phenyl 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride?
The InChIKey is YKNNEQJHGBFXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3.ClH/c21-17(23-15-5-2-1-3-6-15)20-10-9-19-11-14(20)13-22-16-7-4-8-18-12-16;/h1-8,12,14,19H,9-11,13H2;1H.
What are the key properties of phenyl 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride?
phenyl 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride has a molecular weight of 349.82 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 90643561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).