1-(1-benzofuran-7-yl)-4-(3-phenoxypropyl)piperazine;hydrochloride

C21H25ClN2O2 — CID 45261097

IUPAC1-(1-benzofuran-7-yl)-4-(3-phenoxypropyl)piperazine;hydrochloride
SMILESCl.c1ccc(OCCCN2CCN(c3cccc4ccoc34)CC2)cc1
InChIInChI=1S/C21H24N2O2.ClH/c1-2-7-19(8-3-1)24-16-5-11-22-12-14-23(15-13-22)20-9-4-6-18-10-17-25-21(18)20;/h1-4,6-10,17H,5,11-16H2;1H
InChIKeyPHKUFNZFQXBYCI-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.45
Rot. Bonds6

About 1-(1-benzofuran-7-yl)-4-(3-phenoxypropyl)piperazine;hydrochloride

1-(1-benzofuran-7-yl)-4-(3-phenoxypropyl)piperazine;hydrochloride (PubChem CID 45261097) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 1-(1-benzofuran-7-yl)-4-(3-phenoxypropyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(1-benzofuran-7-yl)-4-(3-phenoxypropyl)piperazine;hydrochloride
PubChem CID45261097
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name1-(1-benzofuran-7-yl)-4-(3-phenoxypropyl)piperazine;hydrochloride
SMILESCl.c1ccc(OCCCN2CCN(c3cccc4ccoc34)CC2)cc1
InChIInChI=1S/C21H24N2O2.ClH/c1-2-7-19(8-3-1)24-16-5-11-22-12-14-23(15-13-22)20-9-4-6-18-10-17-25-21(18)20;/h1-4,6-10,17H,5,11-16H2;1H
InChIKeyPHKUFNZFQXBYCI-UHFFFAOYSA-N
XLogP4.45
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-Benzofuran-7-yl-piperazin-1-yl)-ethyl]-4-fluoro-benzamide
CID 9999042
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
CID 10092819
1-benzo-[b]furan-7-yl-4[3-(4-fluorobenzoyl)propyl]piperzine HCl
CID 14198563
1-Benzofuran-7-yl-4-pentyl-piperazine
CID 14960345
4-(1-Benzofuran-7-yldiazenyl)-N,N-dimethylaniline
CID 39164
Cyclohexanecarboxylic acid [2-(4-benzofuran-7-yl-piperazin-1-yl)-ethyl]-amide
CID 9975506
1-Benzofuran-7-yl-4-hexyl-piperazine
CID 14960340
5-iodo-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
CID 44393403
1-(1-Benzofuran-7-yl)-4-(2-phenylethyl)piperazine;hydrochloride
CID 45261095
1-(1-Benzofuran-7-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride
CID 45261116
N-[2-[4-(1-benzofuran-7-yl)piperazin-1-yl]ethyl]-4-fluorobenzamide;hydrochloride
CID 45261167
[5-[[4-(1-Benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]-piperidin-1-ylmethanone;hydrochloride
CID 45262080

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-7-yl)-4-(3-phenoxypropyl)piperazine;hydrochloride?
The IUPAC name of 1-(1-benzofuran-7-yl)-4-(3-phenoxypropyl)piperazine;hydrochloride (CID 45261097) is 1-(1-benzofuran-7-yl)-4-(3-phenoxypropyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(1-benzofuran-7-yl)-4-(3-phenoxypropyl)piperazine;hydrochloride?
The canonical SMILES for 1-(1-benzofuran-7-yl)-4-(3-phenoxypropyl)piperazine;hydrochloride is Cl.c1ccc(OCCCN2CCN(c3cccc4ccoc34)CC2)cc1.
What is the InChIKey of 1-(1-benzofuran-7-yl)-4-(3-phenoxypropyl)piperazine;hydrochloride?
The InChIKey is PHKUFNZFQXBYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2.ClH/c1-2-7-19(8-3-1)24-16-5-11-22-12-14-23(15-13-22)20-9-4-6-18-10-17-25-21(18)20;/h1-4,6-10,17H,5,11-16H2;1H.
What are the key properties of 1-(1-benzofuran-7-yl)-4-(3-phenoxypropyl)piperazine;hydrochloride?
1-(1-benzofuran-7-yl)-4-(3-phenoxypropyl)piperazine;hydrochloride has a molecular weight of 372.90 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-7-yl)-4-(3-phenoxypropyl)piperazine;hydrochloride is sourced from PubChem (CID 45261097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).