1-(1-benzofuran-3-ylmethyl)-2-pyridin-4-ylpiperazine;hydrochloride

C18H20ClN3O — CID 120910679

IUPAC1-(1-benzofuran-3-ylmethyl)-2-pyridin-4-ylpiperazine;hydrochloride
SMILESCl.c1ccc2c(CN3CCNCC3c3ccncc3)coc2c1
InChIInChI=1S/C18H19N3O.ClH/c1-2-4-18-16(3-1)15(13-22-18)12-21-10-9-20-11-17(21)14-5-7-19-8-6-14;/h1-8,13,17,20H,9-12H2;1H
InChIKeyODYIVVYHAVGAJK-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.40
Rot. Bonds3

About 1-(1-benzofuran-3-ylmethyl)-2-pyridin-4-ylpiperazine;hydrochloride

1-(1-benzofuran-3-ylmethyl)-2-pyridin-4-ylpiperazine;hydrochloride (PubChem CID 120910679) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 1-(1-benzofuran-3-ylmethyl)-2-pyridin-4-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(1-benzofuran-3-ylmethyl)-2-pyridin-4-ylpiperazine;hydrochloride
PubChem CID120910679
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name1-(1-benzofuran-3-ylmethyl)-2-pyridin-4-ylpiperazine;hydrochloride
SMILESCl.c1ccc2c(CN3CCNCC3c3ccncc3)coc2c1
InChIInChI=1S/C18H19N3O.ClH/c1-2-4-18-16(3-1)15(13-22-18)12-21-10-9-20-11-17(21)14-5-7-19-8-6-14;/h1-8,13,17,20H,9-12H2;1H
InChIKeyODYIVVYHAVGAJK-UHFFFAOYSA-N
XLogP3.40
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-bromophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910651
1-[(2,3-dichlorophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910755
1-[(3-chloro-2-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120909906
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910473
8-[(2-phenylpiperazin-1-yl)methyl]isoquinoline
CID 166267423
1-(1-benzofuran-3-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide
CID 80702285
1-[(5-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910009
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120909955
1-[(4-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910228
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride
CID 120910881
1-[(4-phenylthiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine
CID 120909954
ethyl 1-(1-benzofuran-3-ylmethyl)piperazine-2-carboxylate
CID 80702284

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-ylmethyl)-2-pyridin-4-ylpiperazine;hydrochloride?
The IUPAC name of 1-(1-benzofuran-3-ylmethyl)-2-pyridin-4-ylpiperazine;hydrochloride (CID 120910679) is 1-(1-benzofuran-3-ylmethyl)-2-pyridin-4-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-(1-benzofuran-3-ylmethyl)-2-pyridin-4-ylpiperazine;hydrochloride?
The canonical SMILES for 1-(1-benzofuran-3-ylmethyl)-2-pyridin-4-ylpiperazine;hydrochloride is Cl.c1ccc2c(CN3CCNCC3c3ccncc3)coc2c1.
What is the InChIKey of 1-(1-benzofuran-3-ylmethyl)-2-pyridin-4-ylpiperazine;hydrochloride?
The InChIKey is ODYIVVYHAVGAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O.ClH/c1-2-4-18-16(3-1)15(13-22-18)12-21-10-9-20-11-17(21)14-5-7-19-8-6-14;/h1-8,13,17,20H,9-12H2;1H.
What are the key properties of 1-(1-benzofuran-3-ylmethyl)-2-pyridin-4-ylpiperazine;hydrochloride?
1-(1-benzofuran-3-ylmethyl)-2-pyridin-4-ylpiperazine;hydrochloride has a molecular weight of 329.83 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-ylmethyl)-2-pyridin-4-ylpiperazine;hydrochloride is sourced from PubChem (CID 120910679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).