1-[1-(4-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride

C14H24Cl2N2O2 — CID 82021732

IUPAC1-[1-(4-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride
SMILESCOc1ccc(OCC(C)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C14H22N2O2.2ClH/c1-12(16-9-7-15-8-10-16)11-18-14-5-3-13(17-2)4-6-14;;/h3-6,12,15H,7-11H2,1-2H3;2*1H
InChIKeyPZKZMBFYUULTJK-UHFFFAOYSA-N
MW323.26 g/mol
LogP2.21
Rot. Bonds5

About 1-[1-(4-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride

1-[1-(4-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride (PubChem CID 82021732) has the molecular formula C14H24Cl2N2O2 and a molecular weight of 323.26 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[1-(4-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride
PubChem CID82021732
Molecular FormulaC14H24Cl2N2O2
Molecular Weight323.26 g/mol
Exact Mass322.12
IUPAC Name1-[1-(4-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride
SMILESCOc1ccc(OCC(C)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C14H22N2O2.2ClH/c1-12(16-9-7-15-8-10-16)11-18-14-5-3-13(17-2)4-6-14;;/h3-6,12,15H,7-11H2,1-2H3;2*1H
InChIKeyPZKZMBFYUULTJK-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-bromophenoxy)propan-2-yl]piperazine;dihydrochloride
CID 82021726
1-[1-(2-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride
CID 82021730
1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine
CID 7047764
1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine
CID 3987731
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181752
1-(1-methoxypropan-2-yl)piperazine;dihydrochloride
CID 50988385
1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171309970
(2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183352
1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3763712
1-[1-(4-methoxyphenyl)propyl]piperazine
CID 3971378
1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine
CID 7047760
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171181751

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride?
The IUPAC name of 1-[1-(4-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride (CID 82021732) is 1-[1-(4-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[1-(4-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride?
The canonical SMILES for 1-[1-(4-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride is COc1ccc(OCC(C)N2CCNCC2)cc1.Cl.Cl.
What is the InChIKey of 1-[1-(4-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride?
The InChIKey is PZKZMBFYUULTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.2ClH/c1-12(16-9-7-15-8-10-16)11-18-14-5-3-13(17-2)4-6-14;;/h3-6,12,15H,7-11H2,1-2H3;2*1H.
What are the key properties of 1-[1-(4-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride?
1-[1-(4-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-(4-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride is sourced from PubChem (CID 82021732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).