1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine

C19H24N6O — CID 3210076

IUPAC1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine
SMILESCc1ccc(C(c2nnnn2Cc2ccco2)N2CCN(C)CC2)cc1
InChIInChI=1S/C19H24N6O/c1-15-5-7-16(8-6-15)18(24-11-9-23(2)10-12-24)19-20-21-22-25(19)14-17-4-3-13-26-17/h3-8,13,18H,9-12,14H2,1-2H3
InChIKeyWVPCKKPGMIBUOB-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.96
Rot. Bonds5

About 1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine

1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine (PubChem CID 3210076) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine
PubChem CID3210076
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine
SMILESCc1ccc(C(c2nnnn2Cc2ccco2)N2CCN(C)CC2)cc1
InChIInChI=1S/C19H24N6O/c1-15-5-7-16(8-6-15)18(24-11-9-23(2)10-12-24)19-20-21-22-25(19)14-17-4-3-13-26-17/h3-8,13,18H,9-12,14H2,1-2H3
InChIKeyWVPCKKPGMIBUOB-UHFFFAOYSA-N
XLogP1.96
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 3210088
1-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]-4-methylpiperazine
CID 1447111
1-ethyl-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
CID 51686019
1-(2,3-dimethylphenyl)-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 3210069
1-[(R)-(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-prop-2-enylpiperazine
CID 1447239
[4-[(S)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1446169
1-[(S)-[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine
CID 1447572
1-[(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(4-methoxyphenyl)piperazine
CID 3210085
1-(4-fluorophenyl)-4-[(S)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
CID 1447272
1-cyclohexyl-4-[(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride
CID 53314085
[4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylphenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 3209826
1-[(3,4-dimethoxyphenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2,3-dimethylphenyl)piperazine
CID 3210107

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine (CID 3210076) is 1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine is Cc1ccc(C(c2nnnn2Cc2ccco2)N2CCN(C)CC2)cc1.
What is the InChIKey of 1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine?
The InChIKey is WVPCKKPGMIBUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-15-5-7-16(8-6-15)18(24-11-9-23(2)10-12-24)19-20-21-22-25(19)14-17-4-3-13-26-17/h3-8,13,18H,9-12,14H2,1-2H3.
What are the key properties of 1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine?
1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine has a molecular weight of 352.44 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 3210076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).