1-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine

C21H33N7 — CID 644767

IUPAC1-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine
SMILESCC(C)(C)n1nnnc1C(c1cccnc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H33N7/c1-21(2,3)28-20(23-24-25-28)19(17-8-7-11-22-16-17)27-14-12-26(13-15-27)18-9-5-4-6-10-18/h7-8,11,16,18-19H,4-6,9-10,12-15H2,1-3H3
InChIKeyDYPHMVSEMUELLT-UHFFFAOYSA-N
MW383.54 g/mol
LogP2.86
Rot. Bonds4

About 1-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine

1-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine (PubChem CID 644767) has the molecular formula C21H33N7 and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine.

Molecular Properties

Compound Name1-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine
PubChem CID644767
Molecular FormulaC21H33N7
Molecular Weight383.54 g/mol
Exact Mass383.28
IUPAC Name1-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine
SMILESCC(C)(C)n1nnnc1C(c1cccnc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H33N7/c1-21(2,3)28-20(23-24-25-28)19(17-8-7-11-22-16-17)27-14-12-26(13-15-27)18-9-5-4-6-10-18/h7-8,11,16,18-19H,4-6,9-10,12-15H2,1-3H3
InChIKeyDYPHMVSEMUELLT-UHFFFAOYSA-N
XLogP2.86
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CXCR4 antagonist 6
CID 138501464
1-(5-Chloro-2-methyl-phenyl)-4-[(1-cyclohexyl-1H-tetrazol-5-yl)-pyridin-3-yl-methyl]-piperazine
CID 647675
1-{[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-pyridin-3-yl-methyl}-4-(3-trifluoromethyl-phenyl)-piperazine
CID 3229211
4-[[1-(2-Phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine
CID 3229139
1-[(1-Benzyl-1H-tetrazol-5-yl)-pyridin-3-yl-methyl]-4-cyclohexyl-piperazine
CID 652753
2-[4-(4-Benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
CID 10359487
2-[4-[5-Methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 10383074
2-[4-(5-Methyl-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
CID 11278622
2-[4-[5-Methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 11461755
2-[4-[5-Methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 11473073
2-[4-(4-Benzyl-5-butyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
CID 11740204
5-Methyl-1-(1-pyridin-2-ylpiperidin-4-yl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 21925586

Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine?
The IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine (CID 644767) is 1-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine.
What is the SMILES notation for 1-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine?
The canonical SMILES for 1-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine is CC(C)(C)n1nnnc1C(c1cccnc1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine?
The InChIKey is DYPHMVSEMUELLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N7/c1-21(2,3)28-20(23-24-25-28)19(17-8-7-11-22-16-17)27-14-12-26(13-15-27)18-9-5-4-6-10-18/h7-8,11,16,18-19H,4-6,9-10,12-15H2,1-3H3.
What are the key properties of 1-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine?
1-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine has a molecular weight of 383.54 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine is sourced from PubChem (CID 644767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).