1-(3-ethylpentan-3-yl)-3-methyl-3-phenylpiperazine

C18H30N2 — CID 65043590

IUPAC1-(3-ethylpentan-3-yl)-3-methyl-3-phenylpiperazine
SMILESCCC(CC)(CC)N1CCNC(C)(c2ccccc2)C1
InChIInChI=1S/C18H30N2/c1-5-18(6-2,7-3)20-14-13-19-17(4,15-20)16-11-9-8-10-12-16/h8-12,19H,5-7,13-15H2,1-4H3
InChIKeyCWSRRDVHBIAAEU-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.78
Rot. Bonds5

About 1-(3-ethylpentan-3-yl)-3-methyl-3-phenylpiperazine

1-(3-ethylpentan-3-yl)-3-methyl-3-phenylpiperazine (PubChem CID 65043590) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(3-ethylpentan-3-yl)-3-methyl-3-phenylpiperazine.

Molecular Properties

Compound Name1-(3-ethylpentan-3-yl)-3-methyl-3-phenylpiperazine
PubChem CID65043590
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(3-ethylpentan-3-yl)-3-methyl-3-phenylpiperazine
SMILESCCC(CC)(CC)N1CCNC(C)(c2ccccc2)C1
InChIInChI=1S/C18H30N2/c1-5-18(6-2,7-3)20-14-13-19-17(4,15-20)16-11-9-8-10-12-16/h8-12,19H,5-7,13-15H2,1-4H3
InChIKeyCWSRRDVHBIAAEU-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Cyclizine Hydrochloride
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CID 70048
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CID 8793
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CID 102554

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpentan-3-yl)-3-methyl-3-phenylpiperazine?
The IUPAC name of 1-(3-ethylpentan-3-yl)-3-methyl-3-phenylpiperazine (CID 65043590) is 1-(3-ethylpentan-3-yl)-3-methyl-3-phenylpiperazine.
What is the SMILES notation for 1-(3-ethylpentan-3-yl)-3-methyl-3-phenylpiperazine?
The canonical SMILES for 1-(3-ethylpentan-3-yl)-3-methyl-3-phenylpiperazine is CCC(CC)(CC)N1CCNC(C)(c2ccccc2)C1.
What is the InChIKey of 1-(3-ethylpentan-3-yl)-3-methyl-3-phenylpiperazine?
The InChIKey is CWSRRDVHBIAAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-18(6-2,7-3)20-14-13-19-17(4,15-20)16-11-9-8-10-12-16/h8-12,19H,5-7,13-15H2,1-4H3.
What are the key properties of 1-(3-ethylpentan-3-yl)-3-methyl-3-phenylpiperazine?
1-(3-ethylpentan-3-yl)-3-methyl-3-phenylpiperazine has a molecular weight of 274.45 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpentan-3-yl)-3-methyl-3-phenylpiperazine is sourced from PubChem (CID 65043590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).