1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride

C16H26Cl2N2O — CID 171295234

IUPAC1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
SMILESCOc1ccc([C@@H](C2CC2)N2CCNCC2)c(C)c1.Cl.Cl
InChIInChI=1S/C16H24N2O.2ClH/c1-12-11-14(19-2)5-6-15(12)16(13-3-4-13)18-9-7-17-8-10-18;;/h5-6,11,13,16-17H,3-4,7-10H2,1-2H3;2*1H/t16-;;/m1../s1
InChIKeyPCOJYUBATREGFX-GGMCWBHBSA-N
MW333.30 g/mol
LogP3.20
Rot. Bonds4

About 1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride

1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride (PubChem CID 171295234) has the molecular formula C16H26Cl2N2O and a molecular weight of 333.30 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
PubChem CID171295234
Molecular FormulaC16H26Cl2N2O
Molecular Weight333.30 g/mol
Exact Mass332.14
IUPAC Name1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
SMILESCOc1ccc([C@@H](C2CC2)N2CCNCC2)c(C)c1.Cl.Cl
InChIInChI=1S/C16H24N2O.2ClH/c1-12-11-14(19-2)5-6-15(12)16(13-3-4-13)18-9-7-17-8-10-18;;/h5-6,11,13,16-17H,3-4,7-10H2,1-2H3;2*1H/t16-;;/m1../s1
InChIKeyPCOJYUBATREGFX-GGMCWBHBSA-N
XLogP3.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171282616
1-[(S)-(4-methoxy-2-methylphenyl)-(oxan-4-yl)methyl]piperazine
CID 171282623
1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine
CID 171274762
1-[(S)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171274767
2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-4-methoxyphenol
CID 171275894
1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171274120
1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171295224
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-5-methoxyphenol
CID 171274434
1-[(R)-cyclobutyl-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171292074
1-[(R)-cyclopropyl-(2,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286189
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-methoxyphenol;dihydrochloride
CID 171275901
1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171292805

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride (CID 171295234) is 1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride is COc1ccc([C@@H](C2CC2)N2CCNCC2)c(C)c1.Cl.Cl.
What is the InChIKey of 1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride?
The InChIKey is PCOJYUBATREGFX-GGMCWBHBSA-N. The full InChI is InChI=1S/C16H24N2O.2ClH/c1-12-11-14(19-2)5-6-15(12)16(13-3-4-13)18-9-7-17-8-10-18;;/h5-6,11,13,16-17H,3-4,7-10H2,1-2H3;2*1H/t16-;;/m1../s1.
What are the key properties of 1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride?
1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride has a molecular weight of 333.30 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171295234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).