1-[(R)-cyclopropyl-(2,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride

C17H28Cl2N2O3 — CID 171286189

IUPAC1-[(R)-cyclopropyl-(2,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride
SMILESCOc1cc(OC)c([C@@H](C2CC2)N2CCNCC2)cc1OC.Cl.Cl
InChIInChI=1S/C17H26N2O3.2ClH/c1-20-14-11-16(22-3)15(21-2)10-13(14)17(12-4-5-12)19-8-6-18-7-9-19;;/h10-12,17-18H,4-9H2,1-3H3;2*1H/t17-;;/m1../s1
InChIKeyRWYDTHOKAFKGTP-ZEECNFPPSA-N
MW379.33 g/mol
LogP2.91
Rot. Bonds6

About 1-[(R)-cyclopropyl-(2,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride

1-[(R)-cyclopropyl-(2,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride (PubChem CID 171286189) has the molecular formula C17H28Cl2N2O3 and a molecular weight of 379.33 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl-(2,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclopropyl-(2,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride
PubChem CID171286189
Molecular FormulaC17H28Cl2N2O3
Molecular Weight379.33 g/mol
Exact Mass378.15
IUPAC Name1-[(R)-cyclopropyl-(2,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride
SMILESCOc1cc(OC)c([C@@H](C2CC2)N2CCNCC2)cc1OC.Cl.Cl
InChIInChI=1S/C17H26N2O3.2ClH/c1-20-14-11-16(22-3)15(21-2)10-13(14)17(12-4-5-12)19-8-6-18-7-9-19;;/h10-12,17-18H,4-9H2,1-3H3;2*1H/t17-;;/m1../s1
InChIKeyRWYDTHOKAFKGTP-ZEECNFPPSA-N
XLogP2.91
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(S)-(4-bromo-2,5-dimethoxyphenyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171283159
1-[(S)-(2-fluoro-4,5-dimethoxyphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171282763
1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171295234
1-[(1S)-2,2-difluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171286184
1-[(S)-(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171275113
1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171274120
1-[(R)-cyclopropyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine
CID 171296994
1-[(S)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171179588
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride
CID 171287129
1-[(S)-(5-chloro-2-methoxyphenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171283371
1-[(R)-cyclopropyl-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 171286441
1-[(R)-(4-bromo-3,5-dimethoxyphenyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171288222

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl-(2,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-cyclopropyl-(2,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride (CID 171286189) is 1-[(R)-cyclopropyl-(2,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-cyclopropyl-(2,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-cyclopropyl-(2,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride is COc1cc(OC)c([C@@H](C2CC2)N2CCNCC2)cc1OC.Cl.Cl.
What is the InChIKey of 1-[(R)-cyclopropyl-(2,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride?
The InChIKey is RWYDTHOKAFKGTP-ZEECNFPPSA-N. The full InChI is InChI=1S/C17H26N2O3.2ClH/c1-20-14-11-16(22-3)15(21-2)10-13(14)17(12-4-5-12)19-8-6-18-7-9-19;;/h10-12,17-18H,4-9H2,1-3H3;2*1H/t17-;;/m1../s1.
What are the key properties of 1-[(R)-cyclopropyl-(2,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride?
1-[(R)-cyclopropyl-(2,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride has a molecular weight of 379.33 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl-(2,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171286189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).