1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-chlorophenyl)piperazine

C27H29ClN6 — CID 132578507

IUPAC1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-chlorophenyl)piperazine
SMILESClc1ccccc1N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H29ClN6/c28-24-14-7-8-15-25(24)33-20-18-32(19-21-33)16-9-17-34-27(29-30-31-34)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,26H,9,16-21H2
InChIKeySLJJFXWUMLNELD-UHFFFAOYSA-N
MW473.02 g/mol
LogP4.72
Rot. Bonds8

About 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-chlorophenyl)piperazine

1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-chlorophenyl)piperazine (PubChem CID 132578507) has the molecular formula C27H29ClN6 and a molecular weight of 473.02 g/mol. Its IUPAC name is 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-chlorophenyl)piperazine
PubChem CID132578507
Molecular FormulaC27H29ClN6
Molecular Weight473.02 g/mol
Exact Mass472.21
IUPAC Name1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-chlorophenyl)piperazine
SMILESClc1ccccc1N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H29ClN6/c28-24-14-7-8-15-25(24)33-20-18-32(19-21-33)16-9-17-34-27(29-30-31-34)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,26H,9,16-21H2
InChIKeySLJJFXWUMLNELD-UHFFFAOYSA-N
XLogP4.72
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.02
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-Chloro-2-methyl-phenyl)-4-(1-cyclohexyl-1H-tetrazol-5-ylmethyl)-piperazine
CID 649196
1-(3-Chloro-phenyl)-4-[1-(1-isopropyl-1H-tetrazol-5-yl)-3-methyl-butyl]-piperazine
CID 651221
[(3-Chloro-phenyl)-(1-cyclohexyl-1H-tetrazol-5-yl)-methyl]-o-tolyl-amine
CID 3089937
1-[3-(5-Benzhydryltetrazol-1-yl)propyl]-4-(4-chlorophenyl)piperazine
CID 132578505
1-[3-(5-Benzhydryltetrazol-1-yl)propyl]-4-(2,6-difluorophenyl)piperazine
CID 132578508
1-[3-(5-Benzhydryltetrazol-1-yl)propyl]-4-(4-bromophenyl)piperazine
CID 155515957
1-[3-(5-Benzhydryltetrazol-1-yl)propyl]-4-(2-fluorophenyl)piperazine
CID 155530123
1-[3-(5-Benzhydryltetrazol-1-yl)propyl]-4-(4-methylphenyl)piperazine
CID 155545607
1-[3-(5-Benzhydryltetrazol-1-yl)propyl]-4-(4-fluorophenyl)piperazine
CID 155569643
{4-[(1-Benzyl-1H-tetrazol-5-yl)-(4-methyl-piperidin-1-yl)-methyl]-phenyl}-dimethyl-amine
CID 645773
1-[(1-tert-Butyl-1H-tetrazol-5-yl)-(4-chloro-phenyl)-methyl]-1,2,3,4-tetrahydro-quinoline
CID 3193659
1-[1-(1-Benzyltetrazol-5-yl)propyl]-4-phenylpiperazine
CID 3207268

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-chlorophenyl)piperazine?
The IUPAC name of 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-chlorophenyl)piperazine (CID 132578507) is 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-chlorophenyl)piperazine.
What is the SMILES notation for 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-chlorophenyl)piperazine?
The canonical SMILES for 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-chlorophenyl)piperazine is Clc1ccccc1N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-chlorophenyl)piperazine?
The InChIKey is SLJJFXWUMLNELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN6/c28-24-14-7-8-15-25(24)33-20-18-32(19-21-33)16-9-17-34-27(29-30-31-34)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,26H,9,16-21H2.
What are the key properties of 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-chlorophenyl)piperazine?
1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-chlorophenyl)piperazine has a molecular weight of 473.02 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-chlorophenyl)piperazine is sourced from PubChem (CID 132578507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).