1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride

C18H30Cl2N2O — CID 171286720

IUPAC1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
SMILESCOc1cccc([C@@H](C2CCCCC2)N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C18H28N2O.2ClH/c1-21-17-9-5-8-16(14-17)18(15-6-3-2-4-7-15)20-12-10-19-11-13-20;;/h5,8-9,14-15,18-19H,2-4,6-7,10-13H2,1H3;2*1H/t18-;;/m1../s1
InChIKeySASNGONCVCIDGG-JPKZNVRTSA-N
MW361.36 g/mol
LogP4.07
Rot. Bonds4

About 1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride

1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride (PubChem CID 171286720) has the molecular formula C18H30Cl2N2O and a molecular weight of 361.36 g/mol. Its IUPAC name is 1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
PubChem CID171286720
Molecular FormulaC18H30Cl2N2O
Molecular Weight361.36 g/mol
Exact Mass360.17
IUPAC Name1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
SMILESCOc1cccc([C@@H](C2CCCCC2)N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C18H28N2O.2ClH/c1-21-17-9-5-8-16(14-17)18(15-6-3-2-4-7-15)20-12-10-19-11-13-20;;/h5,8-9,14-15,18-19H,2-4,6-7,10-13H2,1H3;2*1H/t18-;;/m1../s1
InChIKeySASNGONCVCIDGG-JPKZNVRTSA-N
XLogP4.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-cyclopropyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286716
1-[(R)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171290527
1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
CID 171165047
1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine
CID 171277901
1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine
CID 95477353
1-[(R)-cyclobutyl-(3,5-dimethoxyphenyl)methyl]piperazine
CID 171286297
1-[(S)-cyclohexyl-(3,4-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171273430
1-[(S)-cyclohexyl-(3-fluorophenyl)methyl]piperazine;hydrochloride
CID 171163455
1-[(S)-cyclopropyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
CID 171278221
1-[(S)-cyclobutyl-(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 171280342
1-[(R)-cyclohexyl-(3-iodophenyl)methyl]piperazine
CID 171293328
1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171274120

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride (CID 171286720) is 1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride is COc1cccc([C@@H](C2CCCCC2)N2CCNCC2)c1.Cl.Cl.
What is the InChIKey of 1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride?
The InChIKey is SASNGONCVCIDGG-JPKZNVRTSA-N. The full InChI is InChI=1S/C18H28N2O.2ClH/c1-21-17-9-5-8-16(14-17)18(15-6-3-2-4-7-15)20-12-10-19-11-13-20;;/h5,8-9,14-15,18-19H,2-4,6-7,10-13H2,1H3;2*1H/t18-;;/m1../s1.
What are the key properties of 1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride?
1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride has a molecular weight of 361.36 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171286720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).