1-(3-chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine

C18H27ClN6O — CID 44753206

IUPAC1-(3-chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine
SMILESCCCC(c1nnnn1CCOC)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H27ClN6O/c1-3-5-17(18-20-21-22-25(18)12-13-26-2)24-10-8-23(9-11-24)16-7-4-6-15(19)14-16/h4,6-7,14,17H,3,5,8-13H2,1-2H3
InChIKeySKGIMUDWCKXMCL-UHFFFAOYSA-N
MW378.91 g/mol
LogP2.64
Rot. Bonds8

About 1-(3-chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine

1-(3-chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine (PubChem CID 44753206) has the molecular formula C18H27ClN6O and a molecular weight of 378.91 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine
PubChem CID44753206
Molecular FormulaC18H27ClN6O
Molecular Weight378.91 g/mol
Exact Mass378.19
IUPAC Name1-(3-chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine
SMILESCCCC(c1nnnn1CCOC)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H27ClN6O/c1-3-5-17(18-20-21-22-25(18)12-13-26-2)24-10-8-23(9-11-24)16-7-4-6-15(19)14-16/h4,6-7,14,17H,3,5,8-13H2,1-2H3
InChIKeySKGIMUDWCKXMCL-UHFFFAOYSA-N
XLogP2.64
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.91
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine (CID 44753206) is 1-(3-chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine is CCCC(c1nnnn1CCOC)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine?
The InChIKey is SKGIMUDWCKXMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN6O/c1-3-5-17(18-20-21-22-25(18)12-13-26-2)24-10-8-23(9-11-24)16-7-4-6-15(19)14-16/h4,6-7,14,17H,3,5,8-13H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine?
1-(3-chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine has a molecular weight of 378.91 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine is sourced from PubChem (CID 44753206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).