1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol

C16H26N2O2 — CID 60900276

IUPAC1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
SMILESCc1ccccc1OCC(O)CNC1CCN(C)CC1
InChIInChI=1S/C16H26N2O2/c1-13-5-3-4-6-16(13)20-12-15(19)11-17-14-7-9-18(2)10-8-14/h3-6,14-15,17,19H,7-12H2,1-2H3
InChIKeyQFJGSMJHAWCIKQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.42
Rot. Bonds6

About 1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol

1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol (PubChem CID 60900276) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
PubChem CID60900276
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
SMILESCc1ccccc1OCC(O)CNC1CCN(C)CC1
InChIInChI=1S/C16H26N2O2/c1-13-5-3-4-6-16(13)20-12-15(19)11-17-14-7-9-18(2)10-8-14/h3-6,14-15,17,19H,7-12H2,1-2H3
InChIKeyQFJGSMJHAWCIKQ-UHFFFAOYSA-N
XLogP1.42
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methylpiperidin-4-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 23934706
1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 60910129
1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 62414951
ethyl 4-[[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]amino]piperidine-1-carboxylate
CID 7875002
1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4799215
1-(cyclopropylamino)-3-(2,6-dimethylphenoxy)propan-2-ol
CID 43090638
1-[(1-methylpiperidin-4-yl)amino]-3-phenylpropan-2-ol
CID 111755497
1-[(2,4-dimethylcyclohexyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 63995477
1-(2-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol
CID 83014174
1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 62415346
2-(2-methylphenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol
CID 117237280
1-(4-fluorophenoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol
CID 61462344

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol (CID 60900276) is 1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol is Cc1ccccc1OCC(O)CNC1CCN(C)CC1.
What is the InChIKey of 1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol?
The InChIKey is QFJGSMJHAWCIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13-5-3-4-6-16(13)20-12-15(19)11-17-14-7-9-18(2)10-8-14/h3-6,14-15,17,19H,7-12H2,1-2H3.
What are the key properties of 1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol?
1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol has a molecular weight of 278.40 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 60900276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).