1-[1-(4-chlorophenyl)ethyl]-4-(1-phenyltetrazol-5-yl)piperazine

C19H21ClN6 — CID 133271987

IUPAC1-[1-(4-chlorophenyl)ethyl]-4-(1-phenyltetrazol-5-yl)piperazine
SMILESCC(c1ccc(Cl)cc1)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C19H21ClN6/c1-15(16-7-9-17(20)10-8-16)24-11-13-25(14-12-24)19-21-22-23-26(19)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3
InChIKeyQAWCSMJPZLJLOW-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.20
Rot. Bonds4

About 1-[1-(4-chlorophenyl)ethyl]-4-(1-phenyltetrazol-5-yl)piperazine

1-[1-(4-chlorophenyl)ethyl]-4-(1-phenyltetrazol-5-yl)piperazine (PubChem CID 133271987) has the molecular formula C19H21ClN6 and a molecular weight of 368.87 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethyl]-4-(1-phenyltetrazol-5-yl)piperazine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethyl]-4-(1-phenyltetrazol-5-yl)piperazine
PubChem CID133271987
Molecular FormulaC19H21ClN6
Molecular Weight368.87 g/mol
Exact Mass368.15
IUPAC Name1-[1-(4-chlorophenyl)ethyl]-4-(1-phenyltetrazol-5-yl)piperazine
SMILESCC(c1ccc(Cl)cc1)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C19H21ClN6/c1-15(16-7-9-17(20)10-8-16)24-11-13-25(14-12-24)19-21-22-23-26(19)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3
InChIKeyQAWCSMJPZLJLOW-UHFFFAOYSA-N
XLogP3.20
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;methane;tris(1-(1-phenyltetrazol-5-yl)-4-propan-2-ylpiperazine);tris(1,1,1-trideuterioethane)
CID 162039612
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid
CID 119924398
1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine
CID 50965439
1-(4-chlorophenyl)sulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 2084594
1-[(S)-(4-chlorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine
CID 7388615
(2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol
CID 133499657
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide
CID 55628198
1-[2-(4-chlorophenyl)sulfonylethyl]-4-(1-phenyltetrazol-5-yl)piperazine
CID 55600924
1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 27306331
1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 47453668
1-(2,3-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine
CID 9311510
4-[1-(4-phenylpiperazin-1-yl)ethyl]phenol
CID 82957492

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-4-(1-phenyltetrazol-5-yl)piperazine?
The IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-4-(1-phenyltetrazol-5-yl)piperazine (CID 133271987) is 1-[1-(4-chlorophenyl)ethyl]-4-(1-phenyltetrazol-5-yl)piperazine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethyl]-4-(1-phenyltetrazol-5-yl)piperazine?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethyl]-4-(1-phenyltetrazol-5-yl)piperazine is CC(c1ccc(Cl)cc1)N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethyl]-4-(1-phenyltetrazol-5-yl)piperazine?
The InChIKey is QAWCSMJPZLJLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6/c1-15(16-7-9-17(20)10-8-16)24-11-13-25(14-12-24)19-21-22-23-26(19)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)ethyl]-4-(1-phenyltetrazol-5-yl)piperazine?
1-[1-(4-chlorophenyl)ethyl]-4-(1-phenyltetrazol-5-yl)piperazine has a molecular weight of 368.87 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethyl]-4-(1-phenyltetrazol-5-yl)piperazine is sourced from PubChem (CID 133271987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).