5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine

C19H32N2 — CID 64849218

IUPAC5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine
SMILESCCC(C)C1CN(CCCc2ccccc2)C(C)(C)CN1
InChIInChI=1S/C19H32N2/c1-5-16(2)18-14-21(19(3,4)15-20-18)13-9-12-17-10-7-6-8-11-17/h6-8,10-11,16,18,20H,5,9,12-15H2,1-4H3
InChIKeyXSHXAUGKLRITAK-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.72
Rot. Bonds6

About 5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine

5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine (PubChem CID 64849218) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine
PubChem CID64849218
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine
SMILESCCC(C)C1CN(CCCc2ccccc2)C(C)(C)CN1
InChIInChI=1S/C19H32N2/c1-5-16(2)18-14-21(19(3,4)15-20-18)13-9-12-17-10-7-6-8-11-17/h6-8,10-11,16,18,20H,5,9,12-15H2,1-4H3
InChIKeyXSHXAUGKLRITAK-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,5-trimethyl-1-(4-phenylbutyl)piperazine
CID 114334919
5-butan-2-yl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64848061
5-butan-2-yl-1-(2-fluoroethyl)-2,2-dimethylpiperazine
CID 80696297
5-butan-2-yl-1-(3-ethylsulfonylpropyl)-2,2-dimethylpiperazine
CID 65097377
5-butan-2-yl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64848062
5-butan-2-yl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64848063
(5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine
CID 129371290
5-butan-2-yl-1-(2-ethylsulfonylethyl)-2,2-dimethylpiperazine
CID 106733099
5-butan-2-yl-2,2-dimethyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64849215
5-butan-2-yl-1-(2-ethoxyethyl)-2,2-dimethylpiperazine
CID 64848829
5-butan-2-yl-1-(2-fluoroethyl)-2-methyl-2-phenylpiperazine
CID 80696880
5-butan-2-yl-1,2,2-trimethylpiperazine
CID 64847098

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine?
The IUPAC name of 5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine (CID 64849218) is 5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine is CCC(C)C1CN(CCCc2ccccc2)C(C)(C)CN1.
What is the InChIKey of 5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine?
The InChIKey is XSHXAUGKLRITAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-16(2)18-14-21(19(3,4)15-20-18)13-9-12-17-10-7-6-8-11-17/h6-8,10-11,16,18,20H,5,9,12-15H2,1-4H3.
What are the key properties of 5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine?
5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine has a molecular weight of 288.48 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine is sourced from PubChem (CID 64849218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).