5-cyclopropyl-1-[(2-methoxyphenyl)methyl]-2-propan-2-ylpiperazine

C18H28N2O — CID 64861840

IUPAC5-cyclopropyl-1-[(2-methoxyphenyl)methyl]-2-propan-2-ylpiperazine
SMILESCOc1ccccc1CN1CC(C2CC2)NCC1C(C)C
InChIInChI=1S/C18H28N2O/c1-13(2)17-10-19-16(14-8-9-14)12-20(17)11-15-6-4-5-7-18(15)21-3/h4-7,13-14,16-17,19H,8-12H2,1-3H3
InChIKeyQTFUKUKDNAFQQU-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.90
Rot. Bonds5

About 5-cyclopropyl-1-[(2-methoxyphenyl)methyl]-2-propan-2-ylpiperazine

5-cyclopropyl-1-[(2-methoxyphenyl)methyl]-2-propan-2-ylpiperazine (PubChem CID 64861840) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(2-methoxyphenyl)methyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-[(2-methoxyphenyl)methyl]-2-propan-2-ylpiperazine
PubChem CID64861840
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name5-cyclopropyl-1-[(2-methoxyphenyl)methyl]-2-propan-2-ylpiperazine
SMILESCOc1ccccc1CN1CC(C2CC2)NCC1C(C)C
InChIInChI=1S/C18H28N2O/c1-13(2)17-10-19-16(14-8-9-14)12-20(17)11-15-6-4-5-7-18(15)21-3/h4-7,13-14,16-17,19H,8-12H2,1-3H3
InChIKeyQTFUKUKDNAFQQU-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(2-methoxyphenyl)methyl]-2-propan-2-ylpiperazine?
The IUPAC name of 5-cyclopropyl-1-[(2-methoxyphenyl)methyl]-2-propan-2-ylpiperazine (CID 64861840) is 5-cyclopropyl-1-[(2-methoxyphenyl)methyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-[(2-methoxyphenyl)methyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-[(2-methoxyphenyl)methyl]-2-propan-2-ylpiperazine is COc1ccccc1CN1CC(C2CC2)NCC1C(C)C.
What is the InChIKey of 5-cyclopropyl-1-[(2-methoxyphenyl)methyl]-2-propan-2-ylpiperazine?
The InChIKey is QTFUKUKDNAFQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)17-10-19-16(14-8-9-14)12-20(17)11-15-6-4-5-7-18(15)21-3/h4-7,13-14,16-17,19H,8-12H2,1-3H3.
What are the key properties of 5-cyclopropyl-1-[(2-methoxyphenyl)methyl]-2-propan-2-ylpiperazine?
5-cyclopropyl-1-[(2-methoxyphenyl)methyl]-2-propan-2-ylpiperazine has a molecular weight of 288.44 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[(2-methoxyphenyl)methyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 64861840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).