1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol

C15H23NO3 — CID 110877353

IUPAC1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol
SMILESCc1ccccc1OCC(O)CN1CCC(O)CC1
InChIInChI=1S/C15H23NO3/c1-12-4-2-3-5-15(12)19-11-14(18)10-16-8-6-13(17)7-9-16/h2-5,13-14,17-18H,6-11H2,1H3
InChIKeyDUDJRXWOXOYYLG-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.19
Rot. Bonds5

About 1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol

1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol (PubChem CID 110877353) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol
PubChem CID110877353
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol
SMILESCc1ccccc1OCC(O)CN1CCC(O)CC1
InChIInChI=1S/C15H23NO3/c1-12-4-2-3-5-15(12)19-11-14(18)10-16-8-6-13(17)7-9-16/h2-5,13-14,17-18H,6-11H2,1H3
InChIKeyDUDJRXWOXOYYLG-UHFFFAOYSA-N
XLogP1.19
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol
CID 111101940
(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 769296
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
1-[4-(ethoxymethyl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 111122489
N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]-N-methylacetamide
CID 110910639
1-(2-methylphenoxy)-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 111439811
1-(4-benzylpiperidin-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol
CID 18807405
1-(2,3-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 16798655
1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 110900539
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol
CID 7150363
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 3747865
(3S)-1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]pyrrolidin-3-ol
CID 111123240

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol?
The IUPAC name of 1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol (CID 110877353) is 1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol?
The canonical SMILES for 1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol is Cc1ccccc1OCC(O)CN1CCC(O)CC1.
What is the InChIKey of 1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol?
The InChIKey is DUDJRXWOXOYYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12-4-2-3-5-15(12)19-11-14(18)10-16-8-6-13(17)7-9-16/h2-5,13-14,17-18H,6-11H2,1H3.
What are the key properties of 1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol?
1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol has a molecular weight of 265.35 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol is sourced from PubChem (CID 110877353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).