2-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-5,5-dimethylpiperazine

C16H22Cl2N2 — CID 65317510

IUPAC2-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-5,5-dimethylpiperazine
SMILESCC1(C)CN(Cc2cc(Cl)ccc2Cl)C(C2CC2)CN1
InChIInChI=1S/C16H22Cl2N2/c1-16(2)10-20(15(8-19-16)11-3-4-11)9-12-7-13(17)5-6-14(12)18/h5-7,11,15,19H,3-4,8-10H2,1-2H3
InChIKeyLBXMFLLRPOLKBZ-UHFFFAOYSA-N
MW313.27 g/mol
LogP3.96
Rot. Bonds3

About 2-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-5,5-dimethylpiperazine

2-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-5,5-dimethylpiperazine (PubChem CID 65317510) has the molecular formula C16H22Cl2N2 and a molecular weight of 313.27 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-5,5-dimethylpiperazine.

Molecular Properties

Compound Name2-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-5,5-dimethylpiperazine
PubChem CID65317510
Molecular FormulaC16H22Cl2N2
Molecular Weight313.27 g/mol
Exact Mass312.12
IUPAC Name2-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-5,5-dimethylpiperazine
SMILESCC1(C)CN(Cc2cc(Cl)ccc2Cl)C(C2CC2)CN1
InChIInChI=1S/C16H22Cl2N2/c1-16(2)10-20(15(8-19-16)11-3-4-11)9-12-7-13(17)5-6-14(12)18/h5-7,11,15,19H,3-4,8-10H2,1-2H3
InChIKeyLBXMFLLRPOLKBZ-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-5,5-dimethylpiperazine?
The IUPAC name of 2-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-5,5-dimethylpiperazine (CID 65317510) is 2-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-5,5-dimethylpiperazine.
What is the SMILES notation for 2-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-5,5-dimethylpiperazine?
The canonical SMILES for 2-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-5,5-dimethylpiperazine is CC1(C)CN(Cc2cc(Cl)ccc2Cl)C(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-5,5-dimethylpiperazine?
The InChIKey is LBXMFLLRPOLKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2/c1-16(2)10-20(15(8-19-16)11-3-4-11)9-12-7-13(17)5-6-14(12)18/h5-7,11,15,19H,3-4,8-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-5,5-dimethylpiperazine?
2-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-5,5-dimethylpiperazine has a molecular weight of 313.27 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-5,5-dimethylpiperazine is sourced from PubChem (CID 65317510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).