1-[(R)-cyclobutyl-(2-methoxy-5-propan-2-ylphenyl)methyl]piperazine;dihydrochloride

C19H32Cl2N2O — CID 171296863

IUPAC1-[(R)-cyclobutyl-(2-methoxy-5-propan-2-ylphenyl)methyl]piperazine;dihydrochloride
SMILESCOc1ccc(C(C)C)cc1[C@@H](C1CCC1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C19H30N2O.2ClH/c1-14(2)16-7-8-18(22-3)17(13-16)19(15-5-4-6-15)21-11-9-20-10-12-21;;/h7-8,13-15,19-20H,4-6,9-12H2,1-3H3;2*1H/t19-;;/m1../s1
InChIKeyFFLCEDSQWOZVHE-JQDLGSOUSA-N
MW375.38 g/mol
LogP4.41
Rot. Bonds5

About 1-[(R)-cyclobutyl-(2-methoxy-5-propan-2-ylphenyl)methyl]piperazine;dihydrochloride

1-[(R)-cyclobutyl-(2-methoxy-5-propan-2-ylphenyl)methyl]piperazine;dihydrochloride (PubChem CID 171296863) has the molecular formula C19H32Cl2N2O and a molecular weight of 375.38 g/mol. Its IUPAC name is 1-[(R)-cyclobutyl-(2-methoxy-5-propan-2-ylphenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclobutyl-(2-methoxy-5-propan-2-ylphenyl)methyl]piperazine;dihydrochloride
PubChem CID171296863
Molecular FormulaC19H32Cl2N2O
Molecular Weight375.38 g/mol
Exact Mass374.19
IUPAC Name1-[(R)-cyclobutyl-(2-methoxy-5-propan-2-ylphenyl)methyl]piperazine;dihydrochloride
SMILESCOc1ccc(C(C)C)cc1[C@@H](C1CCC1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C19H30N2O.2ClH/c1-14(2)16-7-8-18(22-3)17(13-16)19(15-5-4-6-15)21-11-9-20-10-12-21;;/h7-8,13-15,19-20H,4-6,9-12H2,1-3H3;2*1H/t19-;;/m1../s1
InChIKeyFFLCEDSQWOZVHE-JQDLGSOUSA-N
XLogP4.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171275113
1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171274120
1-[(S)-(5-chloro-2-methoxyphenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171283371
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride
CID 171296852
1-[(S)-cyclohexyl-(3,4-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171273430
1-[(1S)-2,2-difluoro-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride
CID 171296858
1-[(S)-cyclobutyl-(3-ethoxy-4-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171280900
1-[(R)-cyclohexyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171171221
1-[(S)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171179588
1-[(S)-cyclobutyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171179720
1-[(R)-cyclopropyl-(2,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286189
1-[(R)-cyclohexyl-(3-fluoro-4-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171287647

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclobutyl-(2-methoxy-5-propan-2-ylphenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-cyclobutyl-(2-methoxy-5-propan-2-ylphenyl)methyl]piperazine;dihydrochloride (CID 171296863) is 1-[(R)-cyclobutyl-(2-methoxy-5-propan-2-ylphenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-cyclobutyl-(2-methoxy-5-propan-2-ylphenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-cyclobutyl-(2-methoxy-5-propan-2-ylphenyl)methyl]piperazine;dihydrochloride is COc1ccc(C(C)C)cc1[C@@H](C1CCC1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(R)-cyclobutyl-(2-methoxy-5-propan-2-ylphenyl)methyl]piperazine;dihydrochloride?
The InChIKey is FFLCEDSQWOZVHE-JQDLGSOUSA-N. The full InChI is InChI=1S/C19H30N2O.2ClH/c1-14(2)16-7-8-18(22-3)17(13-16)19(15-5-4-6-15)21-11-9-20-10-12-21;;/h7-8,13-15,19-20H,4-6,9-12H2,1-3H3;2*1H/t19-;;/m1../s1.
What are the key properties of 1-[(R)-cyclobutyl-(2-methoxy-5-propan-2-ylphenyl)methyl]piperazine;dihydrochloride?
1-[(R)-cyclobutyl-(2-methoxy-5-propan-2-ylphenyl)methyl]piperazine;dihydrochloride has a molecular weight of 375.38 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclobutyl-(2-methoxy-5-propan-2-ylphenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171296863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).