5-tert-butyl-1-pentan-3-yl-2-phenylpiperazine

C19H32N2 — CID 64931431

IUPAC5-tert-butyl-1-pentan-3-yl-2-phenylpiperazine
SMILESCCC(CC)N1CC(C(C)(C)C)NCC1c1ccccc1
InChIInChI=1S/C19H32N2/c1-6-16(7-2)21-14-18(19(3,4)5)20-13-17(21)15-11-9-8-10-12-15/h8-12,16-18,20H,6-7,13-14H2,1-5H3
InChIKeyMPMIFNFOFBWLQU-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.24
Rot. Bonds4

About 5-tert-butyl-1-pentan-3-yl-2-phenylpiperazine

5-tert-butyl-1-pentan-3-yl-2-phenylpiperazine (PubChem CID 64931431) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 5-tert-butyl-1-pentan-3-yl-2-phenylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-pentan-3-yl-2-phenylpiperazine
PubChem CID64931431
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name5-tert-butyl-1-pentan-3-yl-2-phenylpiperazine
SMILESCCC(CC)N1CC(C(C)(C)C)NCC1c1ccccc1
InChIInChI=1S/C19H32N2/c1-6-16(7-2)21-14-18(19(3,4)5)20-13-17(21)15-11-9-8-10-12-15/h8-12,16-18,20H,6-7,13-14H2,1-5H3
InChIKeyMPMIFNFOFBWLQU-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-1-cyclobutyl-2-phenylpiperazine
CID 64947167
5-cyclopropyl-1-(1-methoxybutan-2-yl)-2-phenylpiperazine
CID 64941267
5-ethyl-2-phenyl-1-propan-2-ylpiperazine
CID 64843317
5-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-2-phenylpiperazine
CID 104830214
5-tert-butyl-2-ethyl-1-phenylpiperazine
CID 64932615
5-tert-butyl-2-ethyl-1-[1-(2-fluorophenyl)ethyl]piperazine
CID 64945887
5-tert-butyl-2-ethyl-1-hex-5-yn-3-ylpiperazine
CID 113478280
5-tert-butyl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine
CID 64940687
5-cyclopropyl-1-(3-methylbutan-2-yl)-2-phenylpiperazine
CID 64934608
1-(3-ethylpentan-2-yl)-2-phenylpiperazine
CID 64930340
1-but-3-yn-2-yl-2-phenyl-5-propan-2-ylpiperazine
CID 114420436
5-tert-butyl-1-phenyl-2-propan-2-ylpiperazine
CID 64930661

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-pentan-3-yl-2-phenylpiperazine?
The IUPAC name of 5-tert-butyl-1-pentan-3-yl-2-phenylpiperazine (CID 64931431) is 5-tert-butyl-1-pentan-3-yl-2-phenylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-pentan-3-yl-2-phenylpiperazine?
The canonical SMILES for 5-tert-butyl-1-pentan-3-yl-2-phenylpiperazine is CCC(CC)N1CC(C(C)(C)C)NCC1c1ccccc1.
What is the InChIKey of 5-tert-butyl-1-pentan-3-yl-2-phenylpiperazine?
The InChIKey is MPMIFNFOFBWLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-16(7-2)21-14-18(19(3,4)5)20-13-17(21)15-11-9-8-10-12-15/h8-12,16-18,20H,6-7,13-14H2,1-5H3.
What are the key properties of 5-tert-butyl-1-pentan-3-yl-2-phenylpiperazine?
5-tert-butyl-1-pentan-3-yl-2-phenylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-pentan-3-yl-2-phenylpiperazine is sourced from PubChem (CID 64931431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).