1-cyclohexyl-4-[(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride

C23H29ClFN6O- — CID 53314085

IUPAC1-cyclohexyl-4-[(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride
SMILESFc1ccc(C(c2nnnn2Cc2ccco2)N2CCN(C3CCCCC3)CC2)cc1.[Cl-]
InChIInChI=1S/C23H29FN6O.ClH/c24-19-10-8-18(9-11-19)22(23-25-26-27-30(23)17-21-7-4-16-31-21)29-14-12-28(13-15-29)20-5-2-1-3-6-20;/h4,7-11,16,20,22H,1-3,5-6,12-15,17H2;1H/p-1
InChIKeyRLPFRFANLPARRM-UHFFFAOYSA-M
MW459.98 g/mol
LogP0.50
Rot. Bonds6

About 1-cyclohexyl-4-[(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride

1-cyclohexyl-4-[(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride (PubChem CID 53314085) has the molecular formula C23H29ClFN6O- and a molecular weight of 459.98 g/mol. Its IUPAC name is 1-cyclohexyl-4-[(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride.

Molecular Properties

Compound Name1-cyclohexyl-4-[(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride
PubChem CID53314085
Molecular FormulaC23H29ClFN6O-
Molecular Weight459.98 g/mol
Exact Mass459.21
IUPAC Name1-cyclohexyl-4-[(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride
SMILESFc1ccc(C(c2nnnn2Cc2ccco2)N2CCN(C3CCCCC3)CC2)cc1.[Cl-]
InChIInChI=1S/C23H29FN6O.ClH/c24-19-10-8-18(9-11-19)22(23-25-26-27-30(23)17-21-7-4-16-31-21)29-14-12-28(13-15-29)20-5-2-1-3-6-20;/h4,7-11,16,20,22H,1-3,5-6,12-15,17H2;1H/p-1
InChIKeyRLPFRFANLPARRM-UHFFFAOYSA-M
XLogP0.50
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.98
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-cyclohexylpiperazine
CID 3209694
1-[(R)-(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-prop-2-enylpiperazine
CID 1447239
1-cyclobutyl-4-[(4-fluorophenyl)-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]methyl]-1,4-diazepane
CID 68943443
1-cyclohexyl-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine
CID 3209976
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-[(S)-(3,4-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine
CID 1446680
1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine
CID 3210076
1-[(S)-(4-chlorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine
CID 1448484
1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-cyclopentylpiperazine
CID 3209706
1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride
CID 53314125
1-[(4-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 3210088

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride?
The IUPAC name of 1-cyclohexyl-4-[(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride (CID 53314085) is 1-cyclohexyl-4-[(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride.
What is the SMILES notation for 1-cyclohexyl-4-[(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride?
The canonical SMILES for 1-cyclohexyl-4-[(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride is Fc1ccc(C(c2nnnn2Cc2ccco2)N2CCN(C3CCCCC3)CC2)cc1.[Cl-].
What is the InChIKey of 1-cyclohexyl-4-[(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride?
The InChIKey is RLPFRFANLPARRM-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H29FN6O.ClH/c24-19-10-8-18(9-11-19)22(23-25-26-27-30(23)17-21-7-4-16-31-21)29-14-12-28(13-15-29)20-5-2-1-3-6-20;/h4,7-11,16,20,22H,1-3,5-6,12-15,17H2;1H/p-1.
What are the key properties of 1-cyclohexyl-4-[(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride?
1-cyclohexyl-4-[(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride has a molecular weight of 459.98 g/mol, XLogP of 0.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride is sourced from PubChem (CID 53314085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).