1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride

C20H27ClN2O — CID 2995879

IUPAC1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride
SMILESCN1CCN(CCCOc2ccc(-c3ccccc3)cc2)CC1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-21-13-15-22(16-14-21)12-5-17-23-20-10-8-19(9-11-20)18-6-3-2-4-7-18;/h2-4,6-11H,5,12-17H2,1H3;1H
InChIKeyXSJWNALCODYOSU-UHFFFAOYSA-N
MW346.90 g/mol
LogP3.79
Rot. Bonds6

About 1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride

1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride (PubChem CID 2995879) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is 1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride
PubChem CID2995879
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride
SMILESCN1CCN(CCCOc2ccc(-c3ccccc3)cc2)CC1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-21-13-15-22(16-14-21)12-5-17-23-20-10-8-19(9-11-20)18-6-3-2-4-7-18;/h2-4,6-11H,5,12-17H2,1H3;1H
InChIKeyXSJWNALCODYOSU-UHFFFAOYSA-N
XLogP3.79
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
1-[3-(4-benzylphenoxy)propyl]-4-methylpiperazine
CID 2994905
1-octadecyl-4-[2-(4-phenylphenoxy)ethyl]piperazine;dihydrochloride
CID 56955425
1-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
CID 2993798
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856
4-[3-(4-methylpiperazin-1-yl)propoxy]aniline
CID 22124604
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
1-ethyl-4-(3-phenoxypropyl)piperazine
CID 51072960
1,4-bis(7-phenoxyheptyl)piperazine;dihydrochloride
CID 155568603
N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine
CID 19018032
3,5-dimethyl-1-[3-(4-phenylphenoxy)propyl]piperidine
CID 23150265

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride?
The IUPAC name of 1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride (CID 2995879) is 1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride?
The canonical SMILES for 1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride is CN1CCN(CCCOc2ccc(-c3ccccc3)cc2)CC1.Cl.
What is the InChIKey of 1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride?
The InChIKey is XSJWNALCODYOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.ClH/c1-21-13-15-22(16-14-21)12-5-17-23-20-10-8-19(9-11-20)18-6-3-2-4-7-18;/h2-4,6-11H,5,12-17H2,1H3;1H.
What are the key properties of 1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride?
1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride is sourced from PubChem (CID 2995879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).