3-(3-methoxyphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol

C18H29NO3 — CID 117239350

IUPAC3-(3-methoxyphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol
SMILESCOc1cccc(OCC(CO)C2CCN(C(C)C)CC2)c1
InChIInChI=1S/C18H29NO3/c1-14(2)19-9-7-15(8-10-19)16(12-20)13-22-18-6-4-5-17(11-18)21-3/h4-6,11,14-16,20H,7-10,12-13H2,1-3H3
InChIKeyXMUJQXFZPMHXJO-UHFFFAOYSA-N
MW307.43 g/mol
LogP2.80
Rot. Bonds7

About 3-(3-methoxyphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol

3-(3-methoxyphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol (PubChem CID 117239350) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 3-(3-methoxyphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-methoxyphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol
PubChem CID117239350
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name3-(3-methoxyphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol
SMILESCOc1cccc(OCC(CO)C2CCN(C(C)C)CC2)c1
InChIInChI=1S/C18H29NO3/c1-14(2)19-9-7-15(8-10-19)16(12-20)13-22-18-6-4-5-17(11-18)21-3/h4-6,11,14-16,20H,7-10,12-13H2,1-3H3
InChIKeyXMUJQXFZPMHXJO-UHFFFAOYSA-N
XLogP2.80
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol
CID 117239349
3-(3-methylphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237898
3-(2-methylphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol
CID 117239253
3-[3-amino-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol
CID 117239345
3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237826
3-phenoxy-2-(1-propan-2-ylpiperidin-4-yl)propan-1-amine
CID 117239247
3-[3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propoxy]phenol
CID 117237909
2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol
CID 117239485
3-(3-bromophenoxy)-2-cyclobutylpropan-1-ol
CID 117245651
3-(2-cyclohexyl-3-hydroxypropoxy)phenol
CID 117245989
2-(3-methoxyphenoxy)-1-piperidin-4-ylethanol
CID 117238836
2-(1-ethylpiperidin-4-yl)-3-(3-methoxyphenoxy)propanoic acid
CID 117239780

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol?
The IUPAC name of 3-(3-methoxyphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol (CID 117239350) is 3-(3-methoxyphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol.
What is the SMILES notation for 3-(3-methoxyphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol?
The canonical SMILES for 3-(3-methoxyphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol is COc1cccc(OCC(CO)C2CCN(C(C)C)CC2)c1.
What is the InChIKey of 3-(3-methoxyphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol?
The InChIKey is XMUJQXFZPMHXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-14(2)19-9-7-15(8-10-19)16(12-20)13-22-18-6-4-5-17(11-18)21-3/h4-6,11,14-16,20H,7-10,12-13H2,1-3H3.
What are the key properties of 3-(3-methoxyphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol?
3-(3-methoxyphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol has a molecular weight of 307.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol is sourced from PubChem (CID 117239350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).