2-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-methylpiperazine

C17H26N2O — CID 64846488

IUPAC2-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-methylpiperazine
SMILESCOc1ccc(C)cc1CN1CC(C)NCC1C1CC1
InChIInChI=1S/C17H26N2O/c1-12-4-7-17(20-3)15(8-12)11-19-10-13(2)18-9-16(19)14-5-6-14/h4,7-8,13-14,16,18H,5-6,9-11H2,1-3H3
InChIKeyFXPUGMWCTUDMQY-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.58
Rot. Bonds4

About 2-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-methylpiperazine

2-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-methylpiperazine (PubChem CID 64846488) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-methylpiperazine.

Molecular Properties

Compound Name2-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-methylpiperazine
PubChem CID64846488
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-methylpiperazine
SMILESCOc1ccc(C)cc1CN1CC(C)NCC1C1CC1
InChIInChI=1S/C17H26N2O/c1-12-4-7-17(20-3)15(8-12)11-19-10-13(2)18-9-16(19)14-5-6-14/h4,7-8,13-14,16,18H,5-6,9-11H2,1-3H3
InChIKeyFXPUGMWCTUDMQY-UHFFFAOYSA-N
XLogP2.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride
CID 119924453
5-[(2-methoxy-5-methylphenyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209809
2-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-5-methylpiperazine
CID 64844702
2-cyclopropyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine
CID 65488983
3-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine
CID 64832813
2-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-propylpiperazine
CID 64845190
1-[3-[(2,5-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 64980172
9-[(2-methoxy-5-methylphenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 64877546
2-cyclopropyl-5-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 64846089
1-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372147
2-cyclopropyl-1-(2-methoxyethyl)-5-methylpiperazine
CID 64845102
(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-methylpiperazine?
The IUPAC name of 2-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-methylpiperazine (CID 64846488) is 2-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-methylpiperazine.
What is the SMILES notation for 2-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-methylpiperazine?
The canonical SMILES for 2-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-methylpiperazine is COc1ccc(C)cc1CN1CC(C)NCC1C1CC1.
What is the InChIKey of 2-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-methylpiperazine?
The InChIKey is FXPUGMWCTUDMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-4-7-17(20-3)15(8-12)11-19-10-13(2)18-9-16(19)14-5-6-14/h4,7-8,13-14,16,18H,5-6,9-11H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-methylpiperazine?
2-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-methylpiperazine has a molecular weight of 274.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-methylpiperazine is sourced from PubChem (CID 64846488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).