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

C18H29NO3 — CID 111122489

IUPAC1-[4-(ethoxymethyl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
SMILESCCOCC1CCN(CC(O)COc2ccccc2C)CC1
InChIInChI=1S/C18H29NO3/c1-3-21-13-16-8-10-19(11-9-16)12-17(20)14-22-18-7-5-4-6-15(18)2/h4-7,16-17,20H,3,8-14H2,1-2H3
InChIKeyOCDXXYCBXYGZOQ-UHFFFAOYSA-N
MW307.43 g/mol
LogP2.48
Rot. Bonds8

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

1-[4-(ethoxymethyl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 111122489) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 1-[4-(ethoxymethyl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(ethoxymethyl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
PubChem CID111122489
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name1-[4-(ethoxymethyl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
SMILESCCOCC1CCN(CC(O)COc2ccccc2C)CC1
InChIInChI=1S/C18H29NO3/c1-3-21-13-16-8-10-19(11-9-16)12-17(20)14-22-18-7-5-4-6-15(18)2/h4-7,16-17,20H,3,8-14H2,1-2H3
InChIKeyOCDXXYCBXYGZOQ-UHFFFAOYSA-N
XLogP2.48
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol
CID 110877353
(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
(3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol
CID 111101940
1-(2-methylphenoxy)-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 111439811
1-(9H-carbazol-4-yloxy)-3-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride
CID 162308822
N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]-N-methylacetamide
CID 110910639
1-(4-benzylpiperidin-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol
CID 18807405
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 110898165
1-(2-aminophenoxy)-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 62199243
ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]piperidine-3-carboxylate
CID 7150367
3-ethyl-N-[[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]methyl]-2-oxobenzimidazole-1-carboxamide
CID 67368075

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethoxymethyl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[4-(ethoxymethyl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol (CID 111122489) is 1-[4-(ethoxymethyl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[4-(ethoxymethyl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[4-(ethoxymethyl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol is CCOCC1CCN(CC(O)COc2ccccc2C)CC1.
What is the InChIKey of 1-[4-(ethoxymethyl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is OCDXXYCBXYGZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-3-21-13-16-8-10-19(11-9-16)12-17(20)14-22-18-7-5-4-6-15(18)2/h4-7,16-17,20H,3,8-14H2,1-2H3.
What are the key properties of 1-[4-(ethoxymethyl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol?
1-[4-(ethoxymethyl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 307.43 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethoxymethyl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 111122489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).