1-(2,4-dimethylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride

C16H26ClNO2 — CID 2770287

IUPAC1-(2,4-dimethylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
SMILESCc1ccc(OCC(O)CN2CCCCC2)c(C)c1.Cl
InChIInChI=1S/C16H25NO2.ClH/c1-13-6-7-16(14(2)10-13)19-12-15(18)11-17-8-4-3-5-9-17;/h6-7,10,15,18H,3-5,8-9,11-12H2,1-2H3;1H
InChIKeyFMJKKBDPMJWCCF-UHFFFAOYSA-N
MW299.84 g/mol
LogP2.95
Rot. Bonds5

About 1-(2,4-dimethylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride

1-(2,4-dimethylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride (PubChem CID 2770287) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 1-(2,4-dimethylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2,4-dimethylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
PubChem CID2770287
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name1-(2,4-dimethylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
SMILESCc1ccc(OCC(O)CN2CCCCC2)c(C)c1.Cl
InChIInChI=1S/C16H25NO2.ClH/c1-13-6-7-16(14(2)10-13)19-12-15(18)11-17-8-4-3-5-9-17;/h6-7,10,15,18H,3-5,8-9,11-12H2,1-2H3;1H
InChIKeyFMJKKBDPMJWCCF-UHFFFAOYSA-N
XLogP2.95
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2770308
1-(azepan-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 4320215
(2S)-1-(4-chloro-2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 7024718
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
cyclopropyl-[4-[(2S)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 52533613
1-(2,4-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol dichloride
CID 21237602
(2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenoxy)propan-2-ol
CID 30629645
(2S)-1-(2,5-dimethylphenoxy)-3-[4-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 51629005
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-(2,4-dimethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1036651
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-piperidin-1-ylpropan-2-ol;hydrochloride?
The IUPAC name of 1-(2,4-dimethylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride (CID 2770287) is 1-(2,4-dimethylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2,4-dimethylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-(2,4-dimethylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride is Cc1ccc(OCC(O)CN2CCCCC2)c(C)c1.Cl.
What is the InChIKey of 1-(2,4-dimethylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride?
The InChIKey is FMJKKBDPMJWCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2.ClH/c1-13-6-7-16(14(2)10-13)19-12-15(18)11-17-8-4-3-5-9-17;/h6-7,10,15,18H,3-5,8-9,11-12H2,1-2H3;1H.
What are the key properties of 1-(2,4-dimethylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride?
1-(2,4-dimethylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride has a molecular weight of 299.84 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride is sourced from PubChem (CID 2770287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).