2-cyclopropyl-2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine

C19H30N2 — CID 64844959

IUPAC2-cyclopropyl-2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
SMILESCC1CN(Cc2ccc(C(C)C)cc2)C(C)(C2CC2)CN1
InChIInChI=1S/C19H30N2/c1-14(2)17-7-5-16(6-8-17)12-21-11-15(3)20-13-19(21,4)18-9-10-18/h5-8,14-15,18,20H,9-13H2,1-4H3
InChIKeyYHFZSHFKSGCANY-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.77
Rot. Bonds4

About 2-cyclopropyl-2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine

2-cyclopropyl-2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine (PubChem CID 64844959) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-cyclopropyl-2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name2-cyclopropyl-2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
PubChem CID64844959
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2-cyclopropyl-2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
SMILESCC1CN(Cc2ccc(C(C)C)cc2)C(C)(C2CC2)CN1
InChIInChI=1S/C19H30N2/c1-14(2)17-7-5-16(6-8-17)12-21-11-15(3)20-13-19(21,4)18-9-10-18/h5-8,14-15,18,20H,9-13H2,1-4H3
InChIKeyYHFZSHFKSGCANY-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine?
The IUPAC name of 2-cyclopropyl-2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine (CID 64844959) is 2-cyclopropyl-2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine.
What is the SMILES notation for 2-cyclopropyl-2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine?
The canonical SMILES for 2-cyclopropyl-2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine is CC1CN(Cc2ccc(C(C)C)cc2)C(C)(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine?
The InChIKey is YHFZSHFKSGCANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-14(2)17-7-5-16(6-8-17)12-21-11-15(3)20-13-19(21,4)18-9-10-18/h5-8,14-15,18,20H,9-13H2,1-4H3.
What are the key properties of 2-cyclopropyl-2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine?
2-cyclopropyl-2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine has a molecular weight of 286.46 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine is sourced from PubChem (CID 64844959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).