1-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-fluorophenyl)piperazine

C22H27FN6S — CID 1438445

IUPAC1-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN([C@@H](c2cccs2)c2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C22H27FN6S/c23-18-9-4-5-10-19(18)27-12-14-28(15-13-27)21(20-11-6-16-30-20)22-24-25-26-29(22)17-7-2-1-3-8-17/h4-6,9-11,16-17,21H,1-3,7-8,12-15H2/t21-/m0/s1
InChIKeyHBBHRSOBKIUCSZ-NRFANRHFSA-N
MW426.57 g/mol
LogP4.29
Rot. Bonds5

About 1-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-fluorophenyl)piperazine

1-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-fluorophenyl)piperazine (PubChem CID 1438445) has the molecular formula C22H27FN6S and a molecular weight of 426.57 g/mol. Its IUPAC name is 1-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-fluorophenyl)piperazine
PubChem CID1438445
Molecular FormulaC22H27FN6S
Molecular Weight426.57 g/mol
Exact Mass426.20
IUPAC Name1-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN([C@@H](c2cccs2)c2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C22H27FN6S/c23-18-9-4-5-10-19(18)27-12-14-28(15-13-27)21(20-11-6-16-30-20)22-24-25-26-29(22)17-7-2-1-3-8-17/h4-6,9-11,16-17,21H,1-3,7-8,12-15H2/t21-/m0/s1
InChIKeyHBBHRSOBKIUCSZ-NRFANRHFSA-N
XLogP4.29
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(S)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-fluorophenyl)piperazine
CID 1437638
4-[4-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]phenol
CID 3193444
4-[4-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]phenol
CID 1431340
4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine
CID 1438561
1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine
CID 647944
1-[(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 3208797
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazine
CID 1443305
1-(3-chlorophenyl)-4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine
CID 1431474
1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3193437
1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine chloride
CID 53313628
3-[(S)-(1-cyclohexyltetrazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1148612
1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 3193477

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-fluorophenyl)piperazine (CID 1438445) is 1-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-fluorophenyl)piperazine is Fc1ccccc1N1CCN([C@@H](c2cccs2)c2nnnn2C2CCCCC2)CC1.
What is the InChIKey of 1-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-fluorophenyl)piperazine?
The InChIKey is HBBHRSOBKIUCSZ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27FN6S/c23-18-9-4-5-10-19(18)27-12-14-28(15-13-27)21(20-11-6-16-30-20)22-24-25-26-29(22)17-7-2-1-3-8-17/h4-6,9-11,16-17,21H,1-3,7-8,12-15H2/t21-/m0/s1.
What are the key properties of 1-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-fluorophenyl)piperazine?
1-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-fluorophenyl)piperazine has a molecular weight of 426.57 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 1438445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).