1-(2,4-dimethylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride

C16H28Cl2N2O2 — CID 2770308

IUPAC1-(2,4-dimethylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
SMILESCc1ccc(OCC(O)CN2CCN(C)CC2)c(C)c1.Cl.Cl
InChIInChI=1S/C16H26N2O2.2ClH/c1-13-4-5-16(14(2)10-13)20-12-15(19)11-18-8-6-17(3)7-9-18;;/h4-5,10,15,19H,6-9,11-12H2,1-3H3;2*1H
InChIKeyNFPWJEKMHOPZIH-UHFFFAOYSA-N
MW351.32 g/mol
LogP2.13
Rot. Bonds5

About 1-(2,4-dimethylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride

1-(2,4-dimethylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride (PubChem CID 2770308) has the molecular formula C16H28Cl2N2O2 and a molecular weight of 351.32 g/mol. Its IUPAC name is 1-(2,4-dimethylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-(2,4-dimethylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
PubChem CID2770308
Molecular FormulaC16H28Cl2N2O2
Molecular Weight351.32 g/mol
Exact Mass350.15
IUPAC Name1-(2,4-dimethylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
SMILESCc1ccc(OCC(O)CN2CCN(C)CC2)c(C)c1.Cl.Cl
InChIInChI=1S/C16H26N2O2.2ClH/c1-13-4-5-16(14(2)10-13)20-12-15(19)11-18-8-6-17(3)7-9-18;;/h4-5,10,15,19H,6-9,11-12H2,1-3H3;2*1H
InChIKeyNFPWJEKMHOPZIH-UHFFFAOYSA-N
XLogP2.13
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 2770287
(2S)-1-(2,5-dimethylphenoxy)-3-[4-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 51629005
(2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenoxy)propan-2-ol
CID 30629645
1-(2,4-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol dichloride
CID 21237602
1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 18593236
cyclopropyl-[4-[(2S)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 52533613
1-(2,4-dimethylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;hydrochloride
CID 24761594
(2R)-1-(2,4-dimethylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 1325318
(2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 8741482
(2R)-1-(2,4-dimethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1036651
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride
CID 6602968
N-[1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide
CID 110910642

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride?
The IUPAC name of 1-(2,4-dimethylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride (CID 2770308) is 1-(2,4-dimethylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-(2,4-dimethylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride?
The canonical SMILES for 1-(2,4-dimethylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride is Cc1ccc(OCC(O)CN2CCN(C)CC2)c(C)c1.Cl.Cl.
What is the InChIKey of 1-(2,4-dimethylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride?
The InChIKey is NFPWJEKMHOPZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.2ClH/c1-13-4-5-16(14(2)10-13)20-12-15(19)11-18-8-6-17(3)7-9-18;;/h4-5,10,15,19H,6-9,11-12H2,1-3H3;2*1H.
What are the key properties of 1-(2,4-dimethylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride?
1-(2,4-dimethylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride has a molecular weight of 351.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride is sourced from PubChem (CID 2770308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).