1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine

C16H26N2 — CID 783939

IUPAC1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
SMILESCCN1CCN([C@H](C)CCc2ccccc2)CC1
InChIInChI=1S/C16H26N2/c1-3-17-11-13-18(14-12-17)15(2)9-10-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3/t15-/m1/s1
InChIKeyTVLFARSZKCDJHP-OAHLLOKOSA-N
MW246.40 g/mol
LogP2.65
Rot. Bonds5

About 1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine

1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine (PubChem CID 783939) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
PubChem CID783939
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
SMILESCCN1CCN([C@H](C)CCc2ccccc2)CC1
InChIInChI=1S/C16H26N2/c1-3-17-11-13-18(14-12-17)15(2)9-10-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3/t15-/m1/s1
InChIKeyTVLFARSZKCDJHP-OAHLLOKOSA-N
XLogP2.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 1378378
1-[(2R)-4-phenylbutan-2-yl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1378336
N-phenyl-2-[4-(4-phenylbutan-2-yl)piperazin-1-yl]acetamide
CID 55917102
1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 7047274
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
1-methylsulfonyl-4-(4-phenylbutan-2-yl)piperazine;oxalic acid
CID 2901582
1-[2-(4-ethylpiperazin-1-yl)propyl]-2-methyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134096
1-(2,5-dimethylphenyl)-4-[(2S)-4-phenylbutan-2-yl]piperazine
CID 1378393
1-(benzenesulfonyl)-4-(4-phenylbutan-2-yl)piperazine;oxalic acid
CID 2901913
1-(4-fluorophenyl)sulfonyl-4-[(2S)-4-phenylbutan-2-yl]piperazine
CID 1151796
1-(2,4-difluorophenyl)-4-(4-phenylbutan-2-yl)piperazine
CID 123523623
N-(4-chlorophenyl)-1-(4-phenylbutan-2-yl)piperidin-4-amine
CID 4005434

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine?
The IUPAC name of 1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine (CID 783939) is 1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine?
The canonical SMILES for 1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine is CCN1CCN([C@H](C)CCc2ccccc2)CC1.
What is the InChIKey of 1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine?
The InChIKey is TVLFARSZKCDJHP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-17-11-13-18(14-12-17)15(2)9-10-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine?
1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine has a molecular weight of 246.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine is sourced from PubChem (CID 783939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).