1-[1-(2,5-dichlorophenoxy)propan-2-yl]-4-methylpiperazine

C14H20Cl2N2O — CID 53233586

IUPAC1-[1-(2,5-dichlorophenoxy)propan-2-yl]-4-methylpiperazine
SMILESCC(COc1cc(Cl)ccc1Cl)N1CCN(C)CC1
InChIInChI=1S/C14H20Cl2N2O/c1-11(18-7-5-17(2)6-8-18)10-19-14-9-12(15)3-4-13(14)16/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyHMOHDXZGDNHFSX-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.01
Rot. Bonds4

About 1-[1-(2,5-dichlorophenoxy)propan-2-yl]-4-methylpiperazine

1-[1-(2,5-dichlorophenoxy)propan-2-yl]-4-methylpiperazine (PubChem CID 53233586) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 1-[1-(2,5-dichlorophenoxy)propan-2-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-(2,5-dichlorophenoxy)propan-2-yl]-4-methylpiperazine
PubChem CID53233586
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name1-[1-(2,5-dichlorophenoxy)propan-2-yl]-4-methylpiperazine
SMILESCC(COc1cc(Cl)ccc1Cl)N1CCN(C)CC1
InChIInChI=1S/C14H20Cl2N2O/c1-11(18-7-5-17(2)6-8-18)10-19-14-9-12(15)3-4-13(14)16/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyHMOHDXZGDNHFSX-UHFFFAOYSA-N
XLogP3.01
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2,5-dichlorophenoxy)propan-2-ol
CID 106933028
4-(2,5-dichlorophenoxy)-3-methylbutanoic acid
CID 82091057
4-chloro-2-[4-(4-methylpiperazin-1-yl)butan-2-yloxy]aniline
CID 82037680
1-[(2S)-1-methoxypropan-2-yl]-4-methylpiperazine
CID 162764220
[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium
CID 9159109
1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine
CID 2364331
1-[4-(2,5-dichlorophenoxy)butyl]piperazine
CID 2299434
methyl 2-amino-3-(2,5-dichlorophenoxy)propanoate
CID 116820903
1,4-dichloro-2-propan-2-yloxybenzene
CID 20527968
1,4-dichloro-2-(2,2-dimethylpropoxy)benzene
CID 66988103
1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine;dihydrochloride
CID 3065514
(2S)-N-[3-(2,5-dichlorophenoxy)propyl]butan-2-amine
CID 2182170

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dichlorophenoxy)propan-2-yl]-4-methylpiperazine?
The IUPAC name of 1-[1-(2,5-dichlorophenoxy)propan-2-yl]-4-methylpiperazine (CID 53233586) is 1-[1-(2,5-dichlorophenoxy)propan-2-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-(2,5-dichlorophenoxy)propan-2-yl]-4-methylpiperazine?
The canonical SMILES for 1-[1-(2,5-dichlorophenoxy)propan-2-yl]-4-methylpiperazine is CC(COc1cc(Cl)ccc1Cl)N1CCN(C)CC1.
What is the InChIKey of 1-[1-(2,5-dichlorophenoxy)propan-2-yl]-4-methylpiperazine?
The InChIKey is HMOHDXZGDNHFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-11(18-7-5-17(2)6-8-18)10-19-14-9-12(15)3-4-13(14)16/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of 1-[1-(2,5-dichlorophenoxy)propan-2-yl]-4-methylpiperazine?
1-[1-(2,5-dichlorophenoxy)propan-2-yl]-4-methylpiperazine has a molecular weight of 303.23 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dichlorophenoxy)propan-2-yl]-4-methylpiperazine is sourced from PubChem (CID 53233586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).