5,5-diethyl-1-pentan-2-yl-2-phenylpiperazine

C19H32N2 — CID 64931390

IUPAC5,5-diethyl-1-pentan-2-yl-2-phenylpiperazine
SMILESCCCC(C)N1CC(CC)(CC)NCC1c1ccccc1
InChIInChI=1S/C19H32N2/c1-5-11-16(4)21-15-19(6-2,7-3)20-14-18(21)17-12-9-8-10-13-17/h8-10,12-13,16,18,20H,5-7,11,14-15H2,1-4H3
InChIKeyICZPMRNINQSSEG-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.38
Rot. Bonds6

About 5,5-diethyl-1-pentan-2-yl-2-phenylpiperazine

5,5-diethyl-1-pentan-2-yl-2-phenylpiperazine (PubChem CID 64931390) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 5,5-diethyl-1-pentan-2-yl-2-phenylpiperazine.

Molecular Properties

Compound Name5,5-diethyl-1-pentan-2-yl-2-phenylpiperazine
PubChem CID64931390
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name5,5-diethyl-1-pentan-2-yl-2-phenylpiperazine
SMILESCCCC(C)N1CC(CC)(CC)NCC1c1ccccc1
InChIInChI=1S/C19H32N2/c1-5-11-16(4)21-15-19(6-2,7-3)20-14-18(21)17-12-9-8-10-13-17/h8-10,12-13,16,18,20H,5-7,11,14-15H2,1-4H3
InChIKeyICZPMRNINQSSEG-UHFFFAOYSA-N
XLogP4.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-diethyl-2-phenyl-1-prop-2-ynylpiperazine
CID 64933982
5,5-diethyl-2-phenyl-1-prop-2-enylpiperazine
CID 64859679
5,5-diethyl-2-phenyl-1-thiophen-3-ylpiperazine
CID 66353730
2,5,5-triethyl-1-(1-thiophen-2-ylbutyl)piperazine
CID 64946680
5,5-diethyl-1-(5-methylhexan-2-yl)-2-propan-2-ylpiperazine
CID 64942395
5-ethyl-1,5-dimethyl-2-phenylpiperazine
CID 64849289
5-ethyl-2-phenyl-1-propan-2-ylpiperazine
CID 64843317
2-benzyl-5,5-diethyl-1-(2-methylpropyl)piperazine
CID 64861605
5,5-diethyl-1-[1-(4-fluorophenyl)propan-2-yl]-2-methylpiperazine
CID 64941170
5,5-diethyl-1-[1-(4-fluorophenyl)ethyl]-2-methylpiperazine
CID 64946647
3-pentan-2-yl-5-phenylimidazolidin-4-one
CID 83239900
1-hex-1-yn-3-yl-2-phenyl-5-propan-2-ylpiperazine
CID 106224606

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-pentan-2-yl-2-phenylpiperazine?
The IUPAC name of 5,5-diethyl-1-pentan-2-yl-2-phenylpiperazine (CID 64931390) is 5,5-diethyl-1-pentan-2-yl-2-phenylpiperazine.
What is the SMILES notation for 5,5-diethyl-1-pentan-2-yl-2-phenylpiperazine?
The canonical SMILES for 5,5-diethyl-1-pentan-2-yl-2-phenylpiperazine is CCCC(C)N1CC(CC)(CC)NCC1c1ccccc1.
What is the InChIKey of 5,5-diethyl-1-pentan-2-yl-2-phenylpiperazine?
The InChIKey is ICZPMRNINQSSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-11-16(4)21-15-19(6-2,7-3)20-14-18(21)17-12-9-8-10-13-17/h8-10,12-13,16,18,20H,5-7,11,14-15H2,1-4H3.
What are the key properties of 5,5-diethyl-1-pentan-2-yl-2-phenylpiperazine?
5,5-diethyl-1-pentan-2-yl-2-phenylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-pentan-2-yl-2-phenylpiperazine is sourced from PubChem (CID 64931390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).