5-butan-2-yl-1-(cyclobutylmethyl)-2-phenylpiperazine

C19H30N2 — CID 64936913

IUPAC5-butan-2-yl-1-(cyclobutylmethyl)-2-phenylpiperazine
SMILESCCC(C)C1CN(CC2CCC2)C(c2ccccc2)CN1
InChIInChI=1S/C19H30N2/c1-3-15(2)18-14-21(13-16-8-7-9-16)19(12-20-18)17-10-5-4-6-11-17/h4-6,10-11,15-16,18-20H,3,7-9,12-14H2,1-2H3
InChIKeyHZZGHHHMLMGCKW-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.85
Rot. Bonds5

About 5-butan-2-yl-1-(cyclobutylmethyl)-2-phenylpiperazine

5-butan-2-yl-1-(cyclobutylmethyl)-2-phenylpiperazine (PubChem CID 64936913) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 5-butan-2-yl-1-(cyclobutylmethyl)-2-phenylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-(cyclobutylmethyl)-2-phenylpiperazine
PubChem CID64936913
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name5-butan-2-yl-1-(cyclobutylmethyl)-2-phenylpiperazine
SMILESCCC(C)C1CN(CC2CCC2)C(c2ccccc2)CN1
InChIInChI=1S/C19H30N2/c1-3-15(2)18-14-21(13-16-8-7-9-16)19(12-20-18)17-10-5-4-6-11-17/h4-6,10-11,15-16,18-20H,3,7-9,12-14H2,1-2H3
InChIKeyHZZGHHHMLMGCKW-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-(cyclobutylmethyl)-2-phenylpiperazine?
The IUPAC name of 5-butan-2-yl-1-(cyclobutylmethyl)-2-phenylpiperazine (CID 64936913) is 5-butan-2-yl-1-(cyclobutylmethyl)-2-phenylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-(cyclobutylmethyl)-2-phenylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-(cyclobutylmethyl)-2-phenylpiperazine is CCC(C)C1CN(CC2CCC2)C(c2ccccc2)CN1.
What is the InChIKey of 5-butan-2-yl-1-(cyclobutylmethyl)-2-phenylpiperazine?
The InChIKey is HZZGHHHMLMGCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-3-15(2)18-14-21(13-16-8-7-9-16)19(12-20-18)17-10-5-4-6-11-17/h4-6,10-11,15-16,18-20H,3,7-9,12-14H2,1-2H3.
What are the key properties of 5-butan-2-yl-1-(cyclobutylmethyl)-2-phenylpiperazine?
5-butan-2-yl-1-(cyclobutylmethyl)-2-phenylpiperazine has a molecular weight of 286.46 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-(cyclobutylmethyl)-2-phenylpiperazine is sourced from PubChem (CID 64936913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).