1-[(R)-cyclopropyl-(2,3,4-trimethoxyphenyl)methyl]piperazine

C17H26N2O3 — CID 171286441

IUPAC1-[(R)-cyclopropyl-(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc([C@@H](C2CC2)N2CCNCC2)c(OC)c1OC
InChIInChI=1S/C17H26N2O3/c1-20-14-7-6-13(16(21-2)17(14)22-3)15(12-4-5-12)19-10-8-18-9-11-19/h6-7,12,15,18H,4-5,8-11H2,1-3H3/t15-/m1/s1
InChIKeyMYBXQSHYXPOGBE-OAHLLOKOSA-N
MW306.41 g/mol
LogP2.07
Rot. Bonds6

About 1-[(R)-cyclopropyl-(2,3,4-trimethoxyphenyl)methyl]piperazine

1-[(R)-cyclopropyl-(2,3,4-trimethoxyphenyl)methyl]piperazine (PubChem CID 171286441) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl-(2,3,4-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-cyclopropyl-(2,3,4-trimethoxyphenyl)methyl]piperazine
PubChem CID171286441
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[(R)-cyclopropyl-(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc([C@@H](C2CC2)N2CCNCC2)c(OC)c1OC
InChIInChI=1S/C17H26N2O3/c1-20-14-7-6-13(16(21-2)17(14)22-3)15(12-4-5-12)19-10-8-18-9-11-19/h6-7,12,15,18H,4-5,8-11H2,1-3H3/t15-/m1/s1
InChIKeyMYBXQSHYXPOGBE-OAHLLOKOSA-N
XLogP2.07
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 171273819
1-[(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 171286451
1-[(S)-cyclopropyl-(4-methoxynaphthalen-1-yl)methyl]piperazine
CID 171284275
1-[(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclopentylmethyl]piperazine
CID 171288017
1-[(S)-cyclopentyl-(2,3-dimethoxyphenyl)methyl]piperazine
CID 171273356
1-[(1S)-2-cyclopropyl-1-(2,3,4-trimethoxyphenyl)ethyl]piperazine
CID 171273829
1-[(R)-cyclopropyl-(2,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286189
1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171295234
1-[(R)-cyclopropyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine
CID 171296994
1-[(1S)-3-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine
CID 171273831
1-[(1R)-2-methyl-1-(2,3,4-trimethoxyphenyl)butyl]piperazine
CID 171304304
1-[(S)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171179587

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl-(2,3,4-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(R)-cyclopropyl-(2,3,4-trimethoxyphenyl)methyl]piperazine (CID 171286441) is 1-[(R)-cyclopropyl-(2,3,4-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-cyclopropyl-(2,3,4-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(R)-cyclopropyl-(2,3,4-trimethoxyphenyl)methyl]piperazine is COc1ccc([C@@H](C2CC2)N2CCNCC2)c(OC)c1OC.
What is the InChIKey of 1-[(R)-cyclopropyl-(2,3,4-trimethoxyphenyl)methyl]piperazine?
The InChIKey is MYBXQSHYXPOGBE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-20-14-7-6-13(16(21-2)17(14)22-3)15(12-4-5-12)19-10-8-18-9-11-19/h6-7,12,15,18H,4-5,8-11H2,1-3H3/t15-/m1/s1.
What are the key properties of 1-[(R)-cyclopropyl-(2,3,4-trimethoxyphenyl)methyl]piperazine?
1-[(R)-cyclopropyl-(2,3,4-trimethoxyphenyl)methyl]piperazine has a molecular weight of 306.41 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl-(2,3,4-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 171286441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).