1-[(4-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine

C19H23ClN6O — CID 3210088

IUPAC1-[(4-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine
SMILESCCN1CCN(C(c2ccc(Cl)cc2)c2nnnn2Cc2ccco2)CC1
InChIInChI=1S/C19H23ClN6O/c1-2-24-9-11-25(12-10-24)18(15-5-7-16(20)8-6-15)19-21-22-23-26(19)14-17-4-3-13-27-17/h3-8,13,18H,2,9-12,14H2,1H3
InChIKeyXBJXIWXMCKIULH-UHFFFAOYSA-N
MW386.89 g/mol
LogP2.69
Rot. Bonds6

About 1-[(4-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine

1-[(4-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine (PubChem CID 3210088) has the molecular formula C19H23ClN6O and a molecular weight of 386.89 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine
PubChem CID3210088
Molecular FormulaC19H23ClN6O
Molecular Weight386.89 g/mol
Exact Mass386.16
IUPAC Name1-[(4-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine
SMILESCCN1CCN(C(c2ccc(Cl)cc2)c2nnnn2Cc2ccco2)CC1
InChIInChI=1S/C19H23ClN6O/c1-2-24-9-11-25(12-10-24)18(15-5-7-16(20)8-6-15)19-21-22-23-26(19)14-17-4-3-13-27-17/h3-8,13,18H,2,9-12,14H2,1H3
InChIKeyXBJXIWXMCKIULH-UHFFFAOYSA-N
XLogP2.69
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.89
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
CID 51686019
1-ethyl-4-[(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 3210124
1-ethyl-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
CID 855392
1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine
CID 3210076
1-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 51685851
1-[(R)-(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-prop-2-enylpiperazine
CID 1447239
1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine
CID 645594
1-[[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]-(4-chlorophenyl)methyl]-4-ethylpiperazine
CID 3210197
1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine chloride
CID 53314104
[4-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 3209704
1-[(R)-(4-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine-1,4-diium
CID 7396883
1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine
CID 7396387

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine?
The IUPAC name of 1-[(4-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine (CID 3210088) is 1-[(4-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine?
The canonical SMILES for 1-[(4-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine is CCN1CCN(C(c2ccc(Cl)cc2)c2nnnn2Cc2ccco2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine?
The InChIKey is XBJXIWXMCKIULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6O/c1-2-24-9-11-25(12-10-24)18(15-5-7-16(20)8-6-15)19-21-22-23-26(19)14-17-4-3-13-27-17/h3-8,13,18H,2,9-12,14H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine?
1-[(4-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine has a molecular weight of 386.89 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine is sourced from PubChem (CID 3210088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).