1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-ethylpiperazine;hydrochloride

C20H30ClFN6 — CID 171668115

IUPAC1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-ethylpiperazine;hydrochloride
SMILESCCN1CCN(C(c2ccc(F)cc2)c2nnnn2C2CCCCC2)CC1.Cl
InChIInChI=1S/C20H29FN6.ClH/c1-2-25-12-14-26(15-13-25)19(16-8-10-17(21)11-9-16)20-22-23-24-27(20)18-6-4-3-5-7-18;/h8-11,18-19H,2-7,12-15H2,1H3;1H
InChIKeyIEWYEGWSNQAEPR-UHFFFAOYSA-N
MW408.95 g/mol
LogP3.47
Rot. Bonds5

About 1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-ethylpiperazine;hydrochloride

1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-ethylpiperazine;hydrochloride (PubChem CID 171668115) has the molecular formula C20H30ClFN6 and a molecular weight of 408.95 g/mol. Its IUPAC name is 1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-ethylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-ethylpiperazine;hydrochloride
PubChem CID171668115
Molecular FormulaC20H30ClFN6
Molecular Weight408.95 g/mol
Exact Mass408.22
IUPAC Name1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-ethylpiperazine;hydrochloride
SMILESCCN1CCN(C(c2ccc(F)cc2)c2nnnn2C2CCCCC2)CC1.Cl
InChIInChI=1S/C20H29FN6.ClH/c1-2-25-12-14-26(15-13-25)19(16-8-10-17(21)11-9-16)20-22-23-24-27(20)18-6-4-3-5-7-18;/h8-11,18-19H,2-7,12-15H2,1H3;1H
InChIKeyIEWYEGWSNQAEPR-UHFFFAOYSA-N
XLogP3.47
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-prop-2-enylpiperazine;hydrochloride
CID 171668116
1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine
CID 3173834
1-[(1-cyclopentyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 171668163
1-benzyl-4-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine
CID 1443040
1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 6603045
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 1443443
1-[(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 6603625
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine
CID 1443464
1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine
CID 3208575
1-[(1-cyclohexyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-methylpiperazine
CID 3208612
1-ethyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
CID 171667970
1-ethyl-4-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 3209548

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-ethylpiperazine;hydrochloride?
The IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-ethylpiperazine;hydrochloride (CID 171668115) is 1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-ethylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-ethylpiperazine;hydrochloride?
The canonical SMILES for 1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-ethylpiperazine;hydrochloride is CCN1CCN(C(c2ccc(F)cc2)c2nnnn2C2CCCCC2)CC1.Cl.
What is the InChIKey of 1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-ethylpiperazine;hydrochloride?
The InChIKey is IEWYEGWSNQAEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN6.ClH/c1-2-25-12-14-26(15-13-25)19(16-8-10-17(21)11-9-16)20-22-23-24-27(20)18-6-4-3-5-7-18;/h8-11,18-19H,2-7,12-15H2,1H3;1H.
What are the key properties of 1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-ethylpiperazine;hydrochloride?
1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-ethylpiperazine;hydrochloride has a molecular weight of 408.95 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-ethylpiperazine;hydrochloride is sourced from PubChem (CID 171668115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).