5,5-dimethyl-2-phenyl-1-(2-pyrrolidin-1-ylethyl)piperazine

C18H29N3 — CID 82250165

IUPAC5,5-dimethyl-2-phenyl-1-(2-pyrrolidin-1-ylethyl)piperazine
SMILESCC1(C)CN(CCN2CCCC2)C(c2ccccc2)CN1
InChIInChI=1S/C18H29N3/c1-18(2)15-21(13-12-20-10-6-7-11-20)17(14-19-18)16-8-4-3-5-9-16/h3-5,8-9,17,19H,6-7,10-15H2,1-2H3
InChIKeyXQDZWIKFBQPRGA-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.51
Rot. Bonds4

About 5,5-dimethyl-2-phenyl-1-(2-pyrrolidin-1-ylethyl)piperazine

5,5-dimethyl-2-phenyl-1-(2-pyrrolidin-1-ylethyl)piperazine (PubChem CID 82250165) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 5,5-dimethyl-2-phenyl-1-(2-pyrrolidin-1-ylethyl)piperazine.

Molecular Properties

Compound Name5,5-dimethyl-2-phenyl-1-(2-pyrrolidin-1-ylethyl)piperazine
PubChem CID82250165
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name5,5-dimethyl-2-phenyl-1-(2-pyrrolidin-1-ylethyl)piperazine
SMILESCC1(C)CN(CCN2CCCC2)C(c2ccccc2)CN1
InChIInChI=1S/C18H29N3/c1-18(2)15-21(13-12-20-10-6-7-11-20)17(14-19-18)16-8-4-3-5-9-16/h3-5,8-9,17,19H,6-7,10-15H2,1-2H3
InChIKeyXQDZWIKFBQPRGA-UHFFFAOYSA-N
XLogP2.51
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-phenyl-1-(2-pyrrolidin-1-ylethyl)piperazine?
The IUPAC name of 5,5-dimethyl-2-phenyl-1-(2-pyrrolidin-1-ylethyl)piperazine (CID 82250165) is 5,5-dimethyl-2-phenyl-1-(2-pyrrolidin-1-ylethyl)piperazine.
What is the SMILES notation for 5,5-dimethyl-2-phenyl-1-(2-pyrrolidin-1-ylethyl)piperazine?
The canonical SMILES for 5,5-dimethyl-2-phenyl-1-(2-pyrrolidin-1-ylethyl)piperazine is CC1(C)CN(CCN2CCCC2)C(c2ccccc2)CN1.
What is the InChIKey of 5,5-dimethyl-2-phenyl-1-(2-pyrrolidin-1-ylethyl)piperazine?
The InChIKey is XQDZWIKFBQPRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-18(2)15-21(13-12-20-10-6-7-11-20)17(14-19-18)16-8-4-3-5-9-16/h3-5,8-9,17,19H,6-7,10-15H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-phenyl-1-(2-pyrrolidin-1-ylethyl)piperazine?
5,5-dimethyl-2-phenyl-1-(2-pyrrolidin-1-ylethyl)piperazine has a molecular weight of 287.45 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-phenyl-1-(2-pyrrolidin-1-ylethyl)piperazine is sourced from PubChem (CID 82250165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).