1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride

C18H30Cl2N2O — CID 171288190

IUPAC1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride
SMILESCCOc1ccccc1[C@@H](C1CCCC1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C18H28N2O.2ClH/c1-2-21-17-10-6-5-9-16(17)18(15-7-3-4-8-15)20-13-11-19-12-14-20;;/h5-6,9-10,15,18-19H,2-4,7-8,11-14H2,1H3;2*1H/t18-;;/m1../s1
InChIKeyHKAUWWJKKHTWCG-JPKZNVRTSA-N
MW361.36 g/mol
LogP4.07
Rot. Bonds5

About 1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride

1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride (PubChem CID 171288190) has the molecular formula C18H30Cl2N2O and a molecular weight of 361.36 g/mol. Its IUPAC name is 1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride
PubChem CID171288190
Molecular FormulaC18H30Cl2N2O
Molecular Weight361.36 g/mol
Exact Mass360.17
IUPAC Name1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride
SMILESCCOc1ccccc1[C@@H](C1CCCC1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C18H28N2O.2ClH/c1-2-21-17-10-6-5-9-16(17)18(15-7-3-4-8-15)20-13-11-19-12-14-20;;/h5-6,9-10,15,18-19H,2-4,7-8,11-14H2,1H3;2*1H/t18-;;/m1../s1
InChIKeyHKAUWWJKKHTWCG-JPKZNVRTSA-N
XLogP4.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-[(S)-cyclohexyl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171166606
1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine
CID 171280314
1-[(S)-cyclobutyl-[2-(difluoromethoxy)phenyl]methyl]piperazine
CID 171180855
1-[(R)-cyclopropyl-(2-phenylmethoxyphenyl)methyl]piperazine
CID 171295550
1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171275548
1-[(1S)-2-cyclopropyl-1-(2-ethoxyphenyl)ethyl]piperazine
CID 171275572
2-ethoxy-6-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171284023
1-[(R)-cyclohexyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine
CID 171171176
1-[(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171176847
1-[(S)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171279602
1-[(1R)-1-(2-ethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171288177
1-[(1S)-1-(2-ethoxyphenyl)-2,2-difluoroethyl]piperazine
CID 171288181

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride (CID 171288190) is 1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride is CCOc1ccccc1[C@@H](C1CCCC1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride?
The InChIKey is HKAUWWJKKHTWCG-JPKZNVRTSA-N. The full InChI is InChI=1S/C18H28N2O.2ClH/c1-2-21-17-10-6-5-9-16(17)18(15-7-3-4-8-15)20-13-11-19-12-14-20;;/h5-6,9-10,15,18-19H,2-4,7-8,11-14H2,1H3;2*1H/t18-;;/m1../s1.
What are the key properties of 1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride?
1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride has a molecular weight of 361.36 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171288190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).