1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine

C18H30N2O — CID 171310795

IUPAC1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine
SMILESCCOc1ccccc1[C@@H](CCC(C)C)N1CCNCC1
InChIInChI=1S/C18H30N2O/c1-4-21-18-8-6-5-7-16(18)17(10-9-15(2)3)20-13-11-19-12-14-20/h5-8,15,17,19H,4,9-14H2,1-3H3/t17-/m1/s1
InChIKeyLOGVHLNEDZMOTE-QGZVFWFLSA-N
MW290.45 g/mol
LogP3.47
Rot. Bonds7

About 1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine

1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine (PubChem CID 171310795) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine
PubChem CID171310795
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine
SMILESCCOc1ccccc1[C@@H](CCC(C)C)N1CCNCC1
InChIInChI=1S/C18H30N2O/c1-4-21-18-8-6-5-7-16(18)17(10-9-15(2)3)20-13-11-19-12-14-20/h5-8,15,17,19H,4,9-14H2,1-3H3/t17-/m1/s1
InChIKeyLOGVHLNEDZMOTE-QGZVFWFLSA-N
XLogP3.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171169097
1-[(1R)-1-(2-ethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171288177
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-4-methylpentyl]piperazine
CID 171311153
2-(2-ethoxyphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 83979111
1-[(1S)-4-methyl-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171310278
1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171275548
1-[(1S)-2-cyclopropyl-1-(2-ethoxyphenyl)ethyl]piperazine
CID 171275572
1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine
CID 171309839
1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171286917
1-[(1S)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310400
1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311166
1-[(1R)-1-(2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171295565

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine (CID 171310795) is 1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine is CCOc1ccccc1[C@@H](CCC(C)C)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine?
The InChIKey is LOGVHLNEDZMOTE-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-21-18-8-6-5-7-16(18)17(10-9-15(2)3)20-13-11-19-12-14-20/h5-8,15,17,19H,4,9-14H2,1-3H3/t17-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine?
1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine has a molecular weight of 290.45 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine is sourced from PubChem (CID 171310795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).