1-[(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutyl]piperazine

C21H30N2O — CID 171295034

IUPAC1-[(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutyl]piperazine
SMILESCCOc1ccc2ccccc2c1[C@@H](CC(C)C)N1CCNCC1
InChIInChI=1S/C21H30N2O/c1-4-24-20-10-9-17-7-5-6-8-18(17)21(20)19(15-16(2)3)23-13-11-22-12-14-23/h5-10,16,19,22H,4,11-15H2,1-3H3/t19-/m1/s1
InChIKeyWARCJEIMDWZEPN-LJQANCHMSA-N
MW326.48 g/mol
LogP4.23
Rot. Bonds6

About 1-[(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutyl]piperazine

1-[(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutyl]piperazine (PubChem CID 171295034) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 1-[(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutyl]piperazine
PubChem CID171295034
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name1-[(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutyl]piperazine
SMILESCCOc1ccc2ccccc2c1[C@@H](CC(C)C)N1CCNCC1
InChIInChI=1S/C21H30N2O/c1-4-24-20-10-9-17-7-5-6-8-18(17)21(20)19(15-16(2)3)23-13-11-22-12-14-23/h5-10,16,19,22H,4,11-15H2,1-3H3/t19-/m1/s1
InChIKeyWARCJEIMDWZEPN-LJQANCHMSA-N
XLogP4.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-2-cyclopropyl-1-(2-ethoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride
CID 171295033
1-[(1S)-1-(2-ethoxynaphthalen-1-yl)hexyl]piperazine;dihydrochloride
CID 171309582
1-[(1S)-1-(2-ethoxynaphthalen-1-yl)pent-4-enyl]piperazine
CID 171282418
1-[(S)-cyclopropyl-(2-ethoxynaphthalen-1-yl)methyl]piperazine
CID 171282396
(3R)-3-(2-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171190278
1-[(1R)-3-methyl-1-naphthalen-1-ylbutyl]piperazine;dihydrochloride
CID 171294063
(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutan-1-amine
CID 171213389
1-[(1S)-1-(2-methoxynaphthalen-1-yl)ethyl]piperazine
CID 171282087
1-[(1S)-1-(2-methoxynaphthalen-1-yl)but-3-enyl]piperazine;dihydrochloride
CID 171282098
1-[(S)-(2-ethoxynaphthalen-1-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171282409
1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine
CID 171310795
1-[(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propyl]piperazine;hydrochloride
CID 171172510

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutyl]piperazine (CID 171295034) is 1-[(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutyl]piperazine is CCOc1ccc2ccccc2c1[C@@H](CC(C)C)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutyl]piperazine?
The InChIKey is WARCJEIMDWZEPN-LJQANCHMSA-N. The full InChI is InChI=1S/C21H30N2O/c1-4-24-20-10-9-17-7-5-6-8-18(17)21(20)19(15-16(2)3)23-13-11-22-12-14-23/h5-10,16,19,22H,4,11-15H2,1-3H3/t19-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutyl]piperazine?
1-[(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutyl]piperazine has a molecular weight of 326.48 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutyl]piperazine is sourced from PubChem (CID 171295034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).