3-cyclopropyl-1-(4-methoxy-3-methylphenyl)-3-methylpiperazine

C16H24N2O — CID 64926348

IUPAC3-cyclopropyl-1-(4-methoxy-3-methylphenyl)-3-methylpiperazine
SMILESCOc1ccc(N2CCNC(C)(C3CC3)C2)cc1C
InChIInChI=1S/C16H24N2O/c1-12-10-14(6-7-15(12)19-3)18-9-8-17-16(2,11-18)13-4-5-13/h6-7,10,13,17H,4-5,8-9,11H2,1-3H3
InChIKeyKUJUMSXYNIOVTO-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.58
Rot. Bonds3

About 3-cyclopropyl-1-(4-methoxy-3-methylphenyl)-3-methylpiperazine

3-cyclopropyl-1-(4-methoxy-3-methylphenyl)-3-methylpiperazine (PubChem CID 64926348) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-cyclopropyl-1-(4-methoxy-3-methylphenyl)-3-methylpiperazine.

Molecular Properties

Compound Name3-cyclopropyl-1-(4-methoxy-3-methylphenyl)-3-methylpiperazine
PubChem CID64926348
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-cyclopropyl-1-(4-methoxy-3-methylphenyl)-3-methylpiperazine
SMILESCOc1ccc(N2CCNC(C)(C3CC3)C2)cc1C
InChIInChI=1S/C16H24N2O/c1-12-10-14(6-7-15(12)19-3)18-9-8-17-16(2,11-18)13-4-5-13/h6-7,10,13,17H,4-5,8-9,11H2,1-3H3
InChIKeyKUJUMSXYNIOVTO-UHFFFAOYSA-N
XLogP2.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(4-methoxy-3-methylphenyl)-3-methylpiperazine?
The IUPAC name of 3-cyclopropyl-1-(4-methoxy-3-methylphenyl)-3-methylpiperazine (CID 64926348) is 3-cyclopropyl-1-(4-methoxy-3-methylphenyl)-3-methylpiperazine.
What is the SMILES notation for 3-cyclopropyl-1-(4-methoxy-3-methylphenyl)-3-methylpiperazine?
The canonical SMILES for 3-cyclopropyl-1-(4-methoxy-3-methylphenyl)-3-methylpiperazine is COc1ccc(N2CCNC(C)(C3CC3)C2)cc1C.
What is the InChIKey of 3-cyclopropyl-1-(4-methoxy-3-methylphenyl)-3-methylpiperazine?
The InChIKey is KUJUMSXYNIOVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-10-14(6-7-15(12)19-3)18-9-8-17-16(2,11-18)13-4-5-13/h6-7,10,13,17H,4-5,8-9,11H2,1-3H3.
What are the key properties of 3-cyclopropyl-1-(4-methoxy-3-methylphenyl)-3-methylpiperazine?
3-cyclopropyl-1-(4-methoxy-3-methylphenyl)-3-methylpiperazine has a molecular weight of 260.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(4-methoxy-3-methylphenyl)-3-methylpiperazine is sourced from PubChem (CID 64926348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).