1-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperazine

C17H26N2O — CID 117438814

IUPAC1-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperazine
SMILESCc1cc(C)c(OCC2CC2)c(CN2CCNCC2)c1
InChIInChI=1S/C17H26N2O/c1-13-9-14(2)17(20-12-15-3-4-15)16(10-13)11-19-7-5-18-6-8-19/h9-10,15,18H,3-8,11-12H2,1-2H3
InChIKeyJRFMJIKGOIXEKJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.50
Rot. Bonds5

About 1-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperazine

1-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperazine (PubChem CID 117438814) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperazine
PubChem CID117438814
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperazine
SMILESCc1cc(C)c(OCC2CC2)c(CN2CCNCC2)c1
InChIInChI=1S/C17H26N2O/c1-13-9-14(2)17(20-12-15-3-4-15)16(10-13)11-19-7-5-18-6-8-19/h9-10,15,18H,3-8,11-12H2,1-2H3
InChIKeyJRFMJIKGOIXEKJ-UHFFFAOYSA-N
XLogP2.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]piperidine
CID 117402856
2-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperidine
CID 117436647
N-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]hydroxylamine
CID 117316662
1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperazine
CID 117450901
1-[[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]piperazine
CID 117495710
1-[2-[2-(cyclobutylmethoxy)-5-methylphenyl]ethyl]piperazine
CID 117466165
1-[(2-ethoxy-5-methylphenyl)methyl]piperazine
CID 82263437
1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 3437314
1-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]piperazine
CID 117429093
1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine
CID 84788709
1-[[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropan-1-ol
CID 117405442
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperazine?
The IUPAC name of 1-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperazine (CID 117438814) is 1-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperazine.
What is the SMILES notation for 1-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperazine?
The canonical SMILES for 1-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperazine is Cc1cc(C)c(OCC2CC2)c(CN2CCNCC2)c1.
What is the InChIKey of 1-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperazine?
The InChIKey is JRFMJIKGOIXEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-9-14(2)17(20-12-15-3-4-15)16(10-13)11-19-7-5-18-6-8-19/h9-10,15,18H,3-8,11-12H2,1-2H3.
What are the key properties of 1-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperazine?
1-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperazine has a molecular weight of 274.41 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperazine is sourced from PubChem (CID 117438814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).