1-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine

C23H30N8 — CID 133279610

IUPAC1-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine
SMILESCc1ccc(-n2nnnc2N2CCCC(CN3CCN(c4ccccn4)CC3)C2)cc1
InChIInChI=1S/C23H30N8/c1-19-7-9-21(10-8-19)31-23(25-26-27-31)30-12-4-5-20(18-30)17-28-13-15-29(16-14-28)22-6-2-3-11-24-22/h2-3,6-11,20H,4-5,12-18H2,1H3
InChIKeyYHCWFHQSSQEPGA-UHFFFAOYSA-N
MW418.55 g/mol
LogP2.40
Rot. Bonds5

About 1-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine

1-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine (PubChem CID 133279610) has the molecular formula C23H30N8 and a molecular weight of 418.55 g/mol. Its IUPAC name is 1-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine
PubChem CID133279610
Molecular FormulaC23H30N8
Molecular Weight418.55 g/mol
Exact Mass418.26
IUPAC Name1-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine
SMILESCc1ccc(-n2nnnc2N2CCCC(CN3CCN(c4ccccn4)CC3)C2)cc1
InChIInChI=1S/C23H30N8/c1-19-7-9-21(10-8-19)31-23(25-26-27-31)30-12-4-5-20(18-30)17-28-13-15-29(16-14-28)22-6-2-3-11-24-22/h2-3,6-11,20H,4-5,12-18H2,1H3
InChIKeyYHCWFHQSSQEPGA-UHFFFAOYSA-N
XLogP2.40
TPSA66.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[(3R)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]morpholine
CID 126812435
6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 133279638
2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol
CID 110932614
N-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]acetamide
CID 133274899
2-cyclopropyl-4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 133300278
1-(4-methylphenyl)-4-pyridin-2-yl-1,4-diazepane
CID 142175555
1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid
CID 122051249
methyl 6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyridazine-3-carboxylate
CID 133279613
4-methyl-2-pyridin-3-yl-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 133279604
2-chloro-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine
CID 133279639
2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 146134518
3-methyl-1-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]but-2-en-1-one
CID 95299376

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine (CID 133279610) is 1-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine is Cc1ccc(-n2nnnc2N2CCCC(CN3CCN(c4ccccn4)CC3)C2)cc1.
What is the InChIKey of 1-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is YHCWFHQSSQEPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8/c1-19-7-9-21(10-8-19)31-23(25-26-27-31)30-12-4-5-20(18-30)17-28-13-15-29(16-14-28)22-6-2-3-11-24-22/h2-3,6-11,20H,4-5,12-18H2,1H3.
What are the key properties of 1-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine?
1-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 418.55 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 133279610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).