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

C18H27ClN6O — CID 43812259

IUPAC1-(3-chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperazine
SMILESCOCCn1nnnc1C(C(C)C)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H27ClN6O/c1-14(2)17(18-20-21-22-25(18)11-12-26-3)24-9-7-23(8-10-24)16-6-4-5-15(19)13-16/h4-6,13-14,17H,7-12H2,1-3H3
InChIKeyGQZNHFMEYMPURH-UHFFFAOYSA-N
MW378.91 g/mol
LogP2.49
Rot. Bonds7

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

1-(3-chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperazine (PubChem CID 43812259) 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]-2-methylpropyl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperazine
PubChem CID43812259
Molecular FormulaC18H27ClN6O
Molecular Weight378.91 g/mol
Exact Mass378.19
IUPAC Name1-(3-chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperazine
SMILESCOCCn1nnnc1C(C(C)C)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H27ClN6O/c1-14(2)17(18-20-21-22-25(18)11-12-26-3)24-9-7-23(8-10-24)16-6-4-5-15(19)13-16/h4-6,13-14,17H,7-12H2,1-3H3
InChIKeyGQZNHFMEYMPURH-UHFFFAOYSA-N
XLogP2.49
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.91
LogP ≤ 52.49
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]-2-methylpropyl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperazine (CID 43812259) is 1-(3-chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperazine is COCCn1nnnc1C(C(C)C)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperazine?
The InChIKey is GQZNHFMEYMPURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN6O/c1-14(2)17(18-20-21-22-25(18)11-12-26-3)24-9-7-23(8-10-24)16-6-4-5-15(19)13-16/h4-6,13-14,17H,7-12H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperazine?
1-(3-chlorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]piperazine has a molecular weight of 378.91 g/mol, XLogP of 2.49, 7 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]-2-methylpropyl]piperazine is sourced from PubChem (CID 43812259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).