1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol

C20H32N2O3 — CID 110900539

IUPAC1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CN1CCC(N2CCOC(C)C2)CC1
InChIInChI=1S/C20H32N2O3/c1-16-5-3-4-6-20(16)25-15-19(23)14-21-9-7-18(8-10-21)22-11-12-24-17(2)13-22/h3-6,17-19,23H,7-15H2,1-2H3
InChIKeyHGZGHLIEKBEKHJ-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.92
Rot. Bonds6

About 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol

1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 110900539) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
PubChem CID110900539
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CN1CCC(N2CCOC(C)C2)CC1
InChIInChI=1S/C20H32N2O3/c1-16-5-3-4-6-20(16)25-15-19(23)14-21-9-7-18(8-10-21)22-11-12-24-17(2)13-22/h3-6,17-19,23H,7-15H2,1-2H3
InChIKeyHGZGHLIEKBEKHJ-UHFFFAOYSA-N
XLogP1.92
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 769296
1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol
CID 110877353
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol
CID 7150363
(3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol
CID 111101940
1-(2-aminophenoxy)-3-(2-methylmorpholin-4-yl)propan-2-ol
CID 43364486
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
1-(2-fluorophenyl)-2-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]ethanol
CID 110900534
1-[4-(ethoxymethyl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 111122489
1-(2-methylphenoxy)-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 111439811
N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]-N-methylacetamide
CID 110910639
1-(2-propan-2-ylphenoxy)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol
CID 110898544
(2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 11901367

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol (CID 110900539) is 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol is Cc1ccccc1OCC(O)CN1CCC(N2CCOC(C)C2)CC1.
What is the InChIKey of 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is HGZGHLIEKBEKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-16-5-3-4-6-20(16)25-15-19(23)14-21-9-7-18(8-10-21)22-11-12-24-17(2)13-22/h3-6,17-19,23H,7-15H2,1-2H3.
What are the key properties of 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol?
1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 348.49 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 110900539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).