3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropan-1-amine

C15H24ClN3O2 — CID 19795939

IUPAC3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropan-1-amine
SMILESCOc1ccc(Cl)cc1N1CCN(CC(CN)OC)CC1
InChIInChI=1S/C15H24ClN3O2/c1-20-13(10-17)11-18-5-7-19(8-6-18)14-9-12(16)3-4-15(14)21-2/h3-4,9,13H,5-8,10-11,17H2,1-2H3
InChIKeyYKVVGVHBFIQQRA-UHFFFAOYSA-N
MW313.83 g/mol
LogP1.44
Rot. Bonds6

About 3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropan-1-amine

3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropan-1-amine (PubChem CID 19795939) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropan-1-amine.

Molecular Properties

Compound Name3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropan-1-amine
PubChem CID19795939
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropan-1-amine
SMILESCOc1ccc(Cl)cc1N1CCN(CC(CN)OC)CC1
InChIInChI=1S/C15H24ClN3O2/c1-20-13(10-17)11-18-5-7-19(8-6-18)14-9-12(16)3-4-15(14)21-2/h3-4,9,13H,5-8,10-11,17H2,1-2H3
InChIKeyYKVVGVHBFIQQRA-UHFFFAOYSA-N
XLogP1.44
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-methoxyphenyl)pyrrolidine
CID 82538228
2-chloro-1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanone
CID 134069379
(2R)-2-fluoro-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 86339195
(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-amine
CID 51663668
8-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride
CID 24833962
4-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113110731
1-(5-chloro-2-methoxyphenyl)-N-methylazetidin-3-amine
CID 117002920
4-methoxy-3-(4-propylpiperazin-1-yl)aniline
CID 166926125
1-(5-chloro-2-methoxyphenyl)-3,3-difluoropyrrolidine
CID 117007621
1-(5-chloro-2-methoxyphenyl)-5,5-dimethyl-1,4-diazepane
CID 117023774
2-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]pyrimidine-4-carboxamide
CID 19795852
1-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 3496187

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropan-1-amine?
The IUPAC name of 3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropan-1-amine (CID 19795939) is 3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropan-1-amine.
What is the SMILES notation for 3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropan-1-amine?
The canonical SMILES for 3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropan-1-amine is COc1ccc(Cl)cc1N1CCN(CC(CN)OC)CC1.
What is the InChIKey of 3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropan-1-amine?
The InChIKey is YKVVGVHBFIQQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2/c1-20-13(10-17)11-18-5-7-19(8-6-18)14-9-12(16)3-4-15(14)21-2/h3-4,9,13H,5-8,10-11,17H2,1-2H3.
What are the key properties of 3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropan-1-amine?
3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropan-1-amine has a molecular weight of 313.83 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropan-1-amine is sourced from PubChem (CID 19795939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).