1-(2-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol

C15H24N2O2 — CID 83014174

IUPAC1-(2-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol
SMILESCc1ccccc1OCC(O)CNN1CCCCC1
InChIInChI=1S/C15H24N2O2/c1-13-7-3-4-8-15(13)19-12-14(18)11-16-17-9-5-2-6-10-17/h3-4,7-8,14,16,18H,2,5-6,9-12H2,1H3
InChIKeyGRKDZSKTFSDZOT-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.73
Rot. Bonds6

About 1-(2-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol

1-(2-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol (PubChem CID 83014174) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(2-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol
PubChem CID83014174
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(2-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol
SMILESCc1ccccc1OCC(O)CNN1CCCCC1
InChIInChI=1S/C15H24N2O2/c1-13-7-3-4-8-15(13)19-12-14(18)11-16-17-9-5-2-6-10-17/h3-4,7-8,14,16,18H,2,5-6,9-12H2,1H3
InChIKeyGRKDZSKTFSDZOT-UHFFFAOYSA-N
XLogP1.73
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
1-(4-chloro-3-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol
CID 83013958
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 27319633
1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60900276
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
1-(2,2-dimethylhydrazinyl)-3-(2-methylphenoxy)propan-2-ol
CID 83014355
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
1-(2,4-dimethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83021283
2-[2-hydroxy-3-[(4-methylpiperazin-1-yl)amino]propoxy]benzonitrile
CID 83019129
1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60902172
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol
CID 13104426
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol?
The IUPAC name of 1-(2-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol (CID 83014174) is 1-(2-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol is Cc1ccccc1OCC(O)CNN1CCCCC1.
What is the InChIKey of 1-(2-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol?
The InChIKey is GRKDZSKTFSDZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-13-7-3-4-8-15(13)19-12-14(18)11-16-17-9-5-2-6-10-17/h3-4,7-8,14,16,18H,2,5-6,9-12H2,1H3.
What are the key properties of 1-(2-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol?
1-(2-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol has a molecular weight of 264.37 g/mol, XLogP of 1.73, 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-(piperidin-1-ylamino)propan-2-ol is sourced from PubChem (CID 83014174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).