1-[(S)-(4-chlorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine

C21H25ClN6 — CID 7388615

IUPAC1-[(S)-(4-chlorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine
SMILESCC(C)n1nnnc1[C@H](c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H25ClN6/c1-16(2)28-21(23-24-25-28)20(17-8-10-18(22)11-9-17)27-14-12-26(13-15-27)19-6-4-3-5-7-19/h3-11,16,20H,12-15H2,1-2H3/t20-/m0/s1
InChIKeyXIAHCBGJUWZGPK-FQEVSTJZSA-N
MW396.93 g/mol
LogP3.82
Rot. Bonds5

About 1-[(S)-(4-chlorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine

1-[(S)-(4-chlorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine (PubChem CID 7388615) has the molecular formula C21H25ClN6 and a molecular weight of 396.93 g/mol. Its IUPAC name is 1-[(S)-(4-chlorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(S)-(4-chlorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine
PubChem CID7388615
Molecular FormulaC21H25ClN6
Molecular Weight396.93 g/mol
Exact Mass396.18
IUPAC Name1-[(S)-(4-chlorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine
SMILESCC(C)n1nnnc1[C@H](c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H25ClN6/c1-16(2)28-21(23-24-25-28)20(17-8-10-18(22)11-9-17)27-14-12-26(13-15-27)19-6-4-3-5-7-19/h3-11,16,20H,12-15H2,1-2H3/t20-/m0/s1
InChIKeyXIAHCBGJUWZGPK-FQEVSTJZSA-N
XLogP3.82
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.93
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine;hydrochloride
CID 171668322
1-(4-fluorophenyl)-4-[(S)-(4-methylphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine
CID 51686580
1-(2-fluorophenyl)-4-[(S)-(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine
CID 7388644
1-[(R)-(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443802
1-[1-(4-chlorophenyl)ethyl]-4-(1-phenyltetrazol-5-yl)piperazine
CID 133271987
1-(2,3-dimethylphenyl)-4-[(R)-(4-methylphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine
CID 7388589
1-(3-chlorophenyl)-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 51684897
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-phenylpiperazine
CID 1446248
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-phenylpiperazine
CID 3209327
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine
CID 118119340
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443350
1-[(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-phenylpiperazine
CID 3209721

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-chlorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(S)-(4-chlorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine (CID 7388615) is 1-[(S)-(4-chlorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(S)-(4-chlorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(S)-(4-chlorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine is CC(C)n1nnnc1[C@H](c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[(S)-(4-chlorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine?
The InChIKey is XIAHCBGJUWZGPK-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25ClN6/c1-16(2)28-21(23-24-25-28)20(17-8-10-18(22)11-9-17)27-14-12-26(13-15-27)19-6-4-3-5-7-19/h3-11,16,20H,12-15H2,1-2H3/t20-/m0/s1.
What are the key properties of 1-[(S)-(4-chlorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine?
1-[(S)-(4-chlorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine has a molecular weight of 396.93 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(4-chlorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine is sourced from PubChem (CID 7388615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).