1-[(1R)-2-cyclopropyl-1-(2-ethoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride

C21H30Cl2N2O — CID 171295033

IUPAC1-[(1R)-2-cyclopropyl-1-(2-ethoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride
SMILESCCOc1ccc2ccccc2c1[C@@H](CC1CC1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C21H28N2O.2ClH/c1-2-24-20-10-9-17-5-3-4-6-18(17)21(20)19(15-16-7-8-16)23-13-11-22-12-14-23;;/h3-6,9-10,16,19,22H,2,7-8,11-15H2,1H3;2*1H/t19-;;/m1../s1
InChIKeyUAQRINMSKBTZPN-JQDLGSOUSA-N
MW397.39 g/mol
LogP4.83
Rot. Bonds6

About 1-[(1R)-2-cyclopropyl-1-(2-ethoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride

1-[(1R)-2-cyclopropyl-1-(2-ethoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride (PubChem CID 171295033) has the molecular formula C21H30Cl2N2O and a molecular weight of 397.39 g/mol. Its IUPAC name is 1-[(1R)-2-cyclopropyl-1-(2-ethoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-2-cyclopropyl-1-(2-ethoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride
PubChem CID171295033
Molecular FormulaC21H30Cl2N2O
Molecular Weight397.39 g/mol
Exact Mass396.17
IUPAC Name1-[(1R)-2-cyclopropyl-1-(2-ethoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride
SMILESCCOc1ccc2ccccc2c1[C@@H](CC1CC1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C21H28N2O.2ClH/c1-2-24-20-10-9-17-5-3-4-6-18(17)21(20)19(15-16-7-8-16)23-13-11-22-12-14-23;;/h3-6,9-10,16,19,22H,2,7-8,11-15H2,1H3;2*1H/t19-;;/m1../s1
InChIKeyUAQRINMSKBTZPN-JQDLGSOUSA-N
XLogP4.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutyl]piperazine
CID 171295034
1-[(S)-cyclopropyl-(2-ethoxynaphthalen-1-yl)methyl]piperazine
CID 171282396
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-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride
CID 171294417
1-[(1S)-2-cyclopropyl-1-(2-ethoxyphenyl)ethyl]piperazine
CID 171275572
(3R)-3-(2-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171190278
1-[(1S)-1-(2-methoxynaphthalen-1-yl)but-3-enyl]piperazine;dihydrochloride
CID 171282098
1-[(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethyl]piperazine;dihydrochloride
CID 171292446
1-[(1R)-1-(2-methoxynaphthalen-1-yl)pent-4-enyl]piperazine;dihydrochloride
CID 171294742
1-[(S)-(2-ethoxynaphthalen-1-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171282409
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)-2-cyclopropyl-1-(2-ethoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-2-cyclopropyl-1-(2-ethoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride (CID 171295033) is 1-[(1R)-2-cyclopropyl-1-(2-ethoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-2-cyclopropyl-1-(2-ethoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-2-cyclopropyl-1-(2-ethoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride is CCOc1ccc2ccccc2c1[C@@H](CC1CC1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-2-cyclopropyl-1-(2-ethoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride?
The InChIKey is UAQRINMSKBTZPN-JQDLGSOUSA-N. The full InChI is InChI=1S/C21H28N2O.2ClH/c1-2-24-20-10-9-17-5-3-4-6-18(17)21(20)19(15-16-7-8-16)23-13-11-22-12-14-23;;/h3-6,9-10,16,19,22H,2,7-8,11-15H2,1H3;2*1H/t19-;;/m1../s1.
What are the key properties of 1-[(1R)-2-cyclopropyl-1-(2-ethoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride?
1-[(1R)-2-cyclopropyl-1-(2-ethoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride has a molecular weight of 397.39 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-cyclopropyl-1-(2-ethoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171295033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).