4-[4-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]phenol

C22H28N6OS — CID 1431340

IUPAC4-[4-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN([C@@H](c3cccs3)c3nnnn3C3CCCCC3)CC2)cc1
InChIInChI=1S/C22H28N6OS/c29-19-10-8-17(9-11-19)26-12-14-27(15-13-26)21(20-7-4-16-30-20)22-23-24-25-28(22)18-5-2-1-3-6-18/h4,7-11,16,18,21,29H,1-3,5-6,12-15H2/t21-/m0/s1
InChIKeyLQEZXNQAJLHGCB-NRFANRHFSA-N
MW424.57 g/mol
LogP3.86
Rot. Bonds5

About 4-[4-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]phenol

4-[4-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]phenol (PubChem CID 1431340) has the molecular formula C22H28N6OS and a molecular weight of 424.57 g/mol. Its IUPAC name is 4-[4-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]phenol
PubChem CID1431340
Molecular FormulaC22H28N6OS
Molecular Weight424.57 g/mol
Exact Mass424.20
IUPAC Name4-[4-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN([C@@H](c3cccs3)c3nnnn3C3CCCCC3)CC2)cc1
InChIInChI=1S/C22H28N6OS/c29-19-10-8-17(9-11-19)26-12-14-27(15-13-26)21(20-7-4-16-30-20)22-23-24-25-28(22)18-5-2-1-3-6-18/h4,7-11,16,18,21,29H,1-3,5-6,12-15H2/t21-/m0/s1
InChIKeyLQEZXNQAJLHGCB-NRFANRHFSA-N
XLogP3.86
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[4-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]phenol with MolForge

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Related Compounds

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-4-ium-1-yl]phenol
CID 7140482
1-(3-chlorophenyl)-4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine
CID 1431474
4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine
CID 1438561
1-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-fluorophenyl)piperazine
CID 1438445
1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3193437
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443350
4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]phenol
CID 861193
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 1443443
4-[4-[(S)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazin-1-yl]phenol
CID 1454781
7-[(1-cyclohexyltetrazol-5-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 3183606
1-(1,3-benzodioxol-5-ylmethyl)-4-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine
CID 5186741

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]phenol (CID 1431340) is 4-[4-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]phenol is Oc1ccc(N2CCN([C@@H](c3cccs3)c3nnnn3C3CCCCC3)CC2)cc1.
What is the InChIKey of 4-[4-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]phenol?
The InChIKey is LQEZXNQAJLHGCB-NRFANRHFSA-N. The full InChI is InChI=1S/C22H28N6OS/c29-19-10-8-17(9-11-19)26-12-14-27(15-13-26)21(20-7-4-16-30-20)22-23-24-25-28(22)18-5-2-1-3-6-18/h4,7-11,16,18,21,29H,1-3,5-6,12-15H2/t21-/m0/s1.
What are the key properties of 4-[4-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]phenol?
4-[4-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]phenol has a molecular weight of 424.57 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]phenol is sourced from PubChem (CID 1431340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).