3-cyclopropyl-1-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperazine

C17H26N2O2 — CID 64955002

IUPAC3-cyclopropyl-1-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperazine
SMILESCOc1ccc(CN2CCNC(C)(C3CC3)C2)c(OC)c1
InChIInChI=1S/C17H26N2O2/c1-17(14-5-6-14)12-19(9-8-18-17)11-13-4-7-15(20-2)10-16(13)21-3/h4,7,10,14,18H,5-6,8-9,11-12H2,1-3H3
InChIKeySAAJOIBDZQZSPM-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.28
Rot. Bonds5

About 3-cyclopropyl-1-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperazine

3-cyclopropyl-1-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperazine (PubChem CID 64955002) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name3-cyclopropyl-1-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperazine
PubChem CID64955002
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-cyclopropyl-1-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperazine
SMILESCOc1ccc(CN2CCNC(C)(C3CC3)C2)c(OC)c1
InChIInChI=1S/C17H26N2O2/c1-17(14-5-6-14)12-19(9-8-18-17)11-13-4-7-15(20-2)10-16(13)21-3/h4,7,10,14,18H,5-6,8-9,11-12H2,1-3H3
InChIKeySAAJOIBDZQZSPM-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-bromo-5-methoxyphenyl)methyl]-3-cyclopropyl-3-methylpiperazine
CID 65325766
1-[(2,4-dimethoxyphenyl)methyl]-3,3-dimethyl-1,4-diazepane
CID 64951779
1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperazine
CID 82303802
[1-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781034
3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-3-methylpiperazine
CID 105409901
3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpiperazine
CID 64832099
1-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 64941015
3-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]-3-methyl-1,4-diazepane
CID 64870693
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
CID 754063
1-[2-(4-bromophenoxy)ethyl]-3-cyclopropyl-3-methylpiperazine
CID 64832894
3-cyclopropyl-3-methyl-1-(2-phenoxyethyl)piperazine
CID 64833088

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperazine?
The IUPAC name of 3-cyclopropyl-1-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperazine (CID 64955002) is 3-cyclopropyl-1-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperazine.
What is the SMILES notation for 3-cyclopropyl-1-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperazine?
The canonical SMILES for 3-cyclopropyl-1-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperazine is COc1ccc(CN2CCNC(C)(C3CC3)C2)c(OC)c1.
What is the InChIKey of 3-cyclopropyl-1-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperazine?
The InChIKey is SAAJOIBDZQZSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(14-5-6-14)12-19(9-8-18-17)11-13-4-7-15(20-2)10-16(13)21-3/h4,7,10,14,18H,5-6,8-9,11-12H2,1-3H3.
What are the key properties of 3-cyclopropyl-1-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperazine?
3-cyclopropyl-1-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperazine has a molecular weight of 290.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperazine is sourced from PubChem (CID 64955002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).