1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride

C13H22Cl2N2O — CID 52983547

IUPAC1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
SMILESCOc1ccccc1CCN1CCNCC1.Cl.Cl
InChIInChI=1S/C13H20N2O.2ClH/c1-16-13-5-3-2-4-12(13)6-9-15-10-7-14-8-11-15;;/h2-5,14H,6-11H2,1H3;2*1H
InChIKeyPCBDPLLLSHULJO-UHFFFAOYSA-N
MW293.24 g/mol
LogP1.99
Rot. Bonds4

About 1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride

1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride (PubChem CID 52983547) has the molecular formula C13H22Cl2N2O and a molecular weight of 293.24 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
PubChem CID52983547
Molecular FormulaC13H22Cl2N2O
Molecular Weight293.24 g/mol
Exact Mass292.11
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
SMILESCOc1ccccc1CCN1CCNCC1.Cl.Cl
InChIInChI=1S/C13H20N2O.2ClH/c1-16-13-5-3-2-4-12(13)6-9-15-10-7-14-8-11-15;;/h2-5,14H,6-11H2,1H3;2*1H
InChIKeyPCBDPLLLSHULJO-UHFFFAOYSA-N
XLogP1.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride
CID 155541951
1-[2-[2-(difluoromethyl)-3-methoxyphenyl]ethyl]piperazine
CID 117429080
2-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]ethanol
CID 94276618
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 54983695
1-[2-(3-methoxy-4-pyridinyl)ethyl]piperazine
CID 83890061
4-[2-(2-methoxyphenyl)ethyl]piperazine-2,6-dione
CID 82118888
1-[2-(2-methoxyphenyl)ethyl]-2-methylpiperazine
CID 82083206
1-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,5-diazocane
CID 106261953
3-tert-butyl-1-[2-(2-methoxyphenyl)ethyl]piperazine
CID 106261625
4-methoxy-N,N-dimethyl-3-(2-piperazin-1-ylethyl)aniline
CID 117413761
1-[2-[2-methoxy-5-(methoxymethyl)phenyl]ethyl]piperazine
CID 117415778

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride (CID 52983547) is 1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride is COc1ccccc1CCN1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is PCBDPLLLSHULJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.2ClH/c1-16-13-5-3-2-4-12(13)6-9-15-10-7-14-8-11-15;;/h2-5,14H,6-11H2,1H3;2*1H.
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride?
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 293.24 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 52983547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).