2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,5-dimethoxyphenol;dihydrochloride

C16H26Cl2N2O3 — CID 171291535

IUPAC2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,5-dimethoxyphenol;dihydrochloride
SMILESCOc1cc(O)c([C@@H](C2CC2)N2CCNCC2)c(OC)c1.Cl.Cl
InChIInChI=1S/C16H24N2O3.2ClH/c1-20-12-9-13(19)15(14(10-12)21-2)16(11-3-4-11)18-7-5-17-6-8-18;;/h9-11,16-17,19H,3-8H2,1-2H3;2*1H/t16-;;/m1../s1
InChIKeyDGFWZCIFWVZNLI-GGMCWBHBSA-N
MW365.30 g/mol
LogP2.61
Rot. Bonds5

About 2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,5-dimethoxyphenol;dihydrochloride

2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,5-dimethoxyphenol;dihydrochloride (PubChem CID 171291535) has the molecular formula C16H26Cl2N2O3 and a molecular weight of 365.30 g/mol. Its IUPAC name is 2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,5-dimethoxyphenol;dihydrochloride.

Molecular Properties

Compound Name2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,5-dimethoxyphenol;dihydrochloride
PubChem CID171291535
Molecular FormulaC16H26Cl2N2O3
Molecular Weight365.30 g/mol
Exact Mass364.13
IUPAC Name2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,5-dimethoxyphenol;dihydrochloride
SMILESCOc1cc(O)c([C@@H](C2CC2)N2CCNCC2)c(OC)c1.Cl.Cl
InChIInChI=1S/C16H24N2O3.2ClH/c1-20-12-9-13(19)15(14(10-12)21-2)16(11-3-4-11)18-7-5-17-6-8-18;;/h9-11,16-17,19H,3-8H2,1-2H3;2*1H/t16-;;/m1../s1
InChIKeyDGFWZCIFWVZNLI-GGMCWBHBSA-N
XLogP2.61
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethoxy-2-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol
CID 171278919
3,5-dimethoxy-2-[(1S)-1-piperazin-1-ylpropyl]phenol;dihydrochloride
CID 171278900
3,5-dimethoxy-2-[(1S)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171305381
3,5-dimethoxy-2-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171278902
2-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171263091
3,5-dimethoxy-2-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171303773
2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-4-methoxyphenol
CID 171275894
4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenol
CID 171276134
2-[(R)-amino(piperidin-4-yl)methyl]-3,5-dimethoxyphenol
CID 171314427
1-[(R)-cyclopropyl-(2,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286189
3,5-dimethoxy-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171278932
1-[(R)-cyclobutyl-(2,6-difluoro-4-methoxyphenyl)methyl]piperazine
CID 171178059

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,5-dimethoxyphenol;dihydrochloride?
The IUPAC name of 2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,5-dimethoxyphenol;dihydrochloride (CID 171291535) is 2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,5-dimethoxyphenol;dihydrochloride.
What is the SMILES notation for 2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,5-dimethoxyphenol;dihydrochloride?
The canonical SMILES for 2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,5-dimethoxyphenol;dihydrochloride is COc1cc(O)c([C@@H](C2CC2)N2CCNCC2)c(OC)c1.Cl.Cl.
What is the InChIKey of 2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,5-dimethoxyphenol;dihydrochloride?
The InChIKey is DGFWZCIFWVZNLI-GGMCWBHBSA-N. The full InChI is InChI=1S/C16H24N2O3.2ClH/c1-20-12-9-13(19)15(14(10-12)21-2)16(11-3-4-11)18-7-5-17-6-8-18;;/h9-11,16-17,19H,3-8H2,1-2H3;2*1H/t16-;;/m1../s1.
What are the key properties of 2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,5-dimethoxyphenol;dihydrochloride?
2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,5-dimethoxyphenol;dihydrochloride has a molecular weight of 365.30 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,5-dimethoxyphenol;dihydrochloride is sourced from PubChem (CID 171291535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).