1-(3-ethylpentan-2-yl)-2-phenylpiperazine

C17H28N2 — CID 64930340

IUPAC1-(3-ethylpentan-2-yl)-2-phenylpiperazine
SMILESCCC(CC)C(C)N1CCNCC1c1ccccc1
InChIInChI=1S/C17H28N2/c1-4-15(5-2)14(3)19-12-11-18-13-17(19)16-9-7-6-8-10-16/h6-10,14-15,17-18H,4-5,11-13H2,1-3H3
InChIKeyXZQVJSHNCVTKBW-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.46
Rot. Bonds5

About 1-(3-ethylpentan-2-yl)-2-phenylpiperazine

1-(3-ethylpentan-2-yl)-2-phenylpiperazine (PubChem CID 64930340) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(3-ethylpentan-2-yl)-2-phenylpiperazine.

Molecular Properties

Compound Name1-(3-ethylpentan-2-yl)-2-phenylpiperazine
PubChem CID64930340
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(3-ethylpentan-2-yl)-2-phenylpiperazine
SMILESCCC(CC)C(C)N1CCNCC1c1ccccc1
InChIInChI=1S/C17H28N2/c1-4-15(5-2)14(3)19-12-11-18-13-17(19)16-9-7-6-8-10-16/h6-10,14-15,17-18H,4-5,11-13H2,1-3H3
InChIKeyXZQVJSHNCVTKBW-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-ethyl-1-(2-phenylpiperazin-1-yl)butan-1-one
CID 82246038
2-[1-(2-phenylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64932331
1-(2-phenylpiperazin-1-yl)propan-1-one
CID 73440047
trimethyl-[(2-phenylpiperazin-1-yl)methyl]silane
CID 10444724
1-(7-methyloctyl)-2-phenylpiperazine
CID 107818420
1,2-diphenylpiperazine;propan-1-ol
CID 174486026
1-[(1-ethylcyclopropyl)methyl]-2-phenylpiperazine
CID 114102162
2-phenyl-1-propyl-1,4-diazepane
CID 82242016
2,2-dimethyl-1-(2-phenylpiperazin-1-yl)butan-1-one
CID 121446464

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpentan-2-yl)-2-phenylpiperazine?
The IUPAC name of 1-(3-ethylpentan-2-yl)-2-phenylpiperazine (CID 64930340) is 1-(3-ethylpentan-2-yl)-2-phenylpiperazine.
What is the SMILES notation for 1-(3-ethylpentan-2-yl)-2-phenylpiperazine?
The canonical SMILES for 1-(3-ethylpentan-2-yl)-2-phenylpiperazine is CCC(CC)C(C)N1CCNCC1c1ccccc1.
What is the InChIKey of 1-(3-ethylpentan-2-yl)-2-phenylpiperazine?
The InChIKey is XZQVJSHNCVTKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-15(5-2)14(3)19-12-11-18-13-17(19)16-9-7-6-8-10-16/h6-10,14-15,17-18H,4-5,11-13H2,1-3H3.
What are the key properties of 1-(3-ethylpentan-2-yl)-2-phenylpiperazine?
1-(3-ethylpentan-2-yl)-2-phenylpiperazine has a molecular weight of 260.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpentan-2-yl)-2-phenylpiperazine is sourced from PubChem (CID 64930340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).