1-[1-(2-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride

C14H24Cl2N2O2 — CID 82021730

IUPAC1-[1-(2-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride
SMILESCOc1ccccc1OCC(C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H22N2O2.2ClH/c1-12(16-9-7-15-8-10-16)11-18-14-6-4-3-5-13(14)17-2;;/h3-6,12,15H,7-11H2,1-2H3;2*1H
InChIKeyBQLSZUMPZWYZMQ-UHFFFAOYSA-N
MW323.26 g/mol
LogP2.21
Rot. Bonds5

About 1-[1-(2-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride

1-[1-(2-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride (PubChem CID 82021730) has the molecular formula C14H24Cl2N2O2 and a molecular weight of 323.26 g/mol. Its IUPAC name is 1-[1-(2-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[1-(2-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride
PubChem CID82021730
Molecular FormulaC14H24Cl2N2O2
Molecular Weight323.26 g/mol
Exact Mass322.12
IUPAC Name1-[1-(2-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride
SMILESCOc1ccccc1OCC(C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H22N2O2.2ClH/c1-12(16-9-7-15-8-10-16)11-18-14-6-4-3-5-13(14)17-2;;/h3-6,12,15H,7-11H2,1-2H3;2*1H
InChIKeyBQLSZUMPZWYZMQ-UHFFFAOYSA-N
XLogP2.21
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride
CID 82021732
1-[bis(2-methoxyphenyl)methyl]piperazine
CID 5183937
1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171275548
1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182348
1-[(4-ethoxy-3-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3635199
1-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3478154
1-[1-(4-bromophenoxy)propan-2-yl]piperazine;dihydrochloride
CID 82021726
1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane
CID 3722689
1-(1-methoxypropan-2-yl)piperazine;dihydrochloride
CID 50988385
1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171286917
1-[(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171287474
1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171295691

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride?
The IUPAC name of 1-[1-(2-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride (CID 82021730) is 1-[1-(2-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[1-(2-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride?
The canonical SMILES for 1-[1-(2-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride is COc1ccccc1OCC(C)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[1-(2-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride?
The InChIKey is BQLSZUMPZWYZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.2ClH/c1-12(16-9-7-15-8-10-16)11-18-14-6-4-3-5-13(14)17-2;;/h3-6,12,15H,7-11H2,1-2H3;2*1H.
What are the key properties of 1-[1-(2-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride?
1-[1-(2-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride has a molecular weight of 323.26 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride is sourced from PubChem (CID 82021730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).