1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperidin-1-ylpropan-2-ol

C23H31NO3 — CID 158523220

IUPAC1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
SMILESCOc1ccc(CCc2ccccc2OCC(O)CN2CCCCC2)cc1
InChIInChI=1S/C23H31NO3/c1-26-22-13-10-19(11-14-22)9-12-20-7-3-4-8-23(20)27-18-21(25)17-24-15-5-2-6-16-24/h3-4,7-8,10-11,13-14,21,25H,2,5-6,9,12,15-18H2,1H3
InChIKeyDCLXVBGOOCGHOC-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.71
Rot. Bonds9

About 1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperidin-1-ylpropan-2-ol

1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperidin-1-ylpropan-2-ol (PubChem CID 158523220) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
PubChem CID158523220
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
SMILESCOc1ccc(CCc2ccccc2OCC(O)CN2CCCCC2)cc1
InChIInChI=1S/C23H31NO3/c1-26-22-13-10-19(11-14-22)9-12-20-7-3-4-8-23(20)27-18-21(25)17-24-15-5-2-6-16-24/h3-4,7-8,10-11,13-14,21,25H,2,5-6,9,12,15-18H2,1H3
InChIKeyDCLXVBGOOCGHOC-UHFFFAOYSA-N
XLogP3.71
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperazin-1-ylpropan-2-ol
CID 159443528
(2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 157064846
1-[2-[4-(4-methoxyphenyl)butyl]phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 19423948
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
(2R)-1-[2-[[benzyl(methyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 25377026
1-piperidin-1-yl-3-(4-propylphenoxy)propan-2-ol chloride
CID 21237668
(2R)-1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 2141702
1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 16807396
(2R)-1-[2-(piperidin-1-ylmethyl)phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 97280232
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
(2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol
CID 808358
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol;hydrochloride
CID 6602951

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperidin-1-ylpropan-2-ol (CID 158523220) is 1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperidin-1-ylpropan-2-ol is COc1ccc(CCc2ccccc2OCC(O)CN2CCCCC2)cc1.
What is the InChIKey of 1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperidin-1-ylpropan-2-ol?
The InChIKey is DCLXVBGOOCGHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-26-22-13-10-19(11-14-22)9-12-20-7-3-4-8-23(20)27-18-21(25)17-24-15-5-2-6-16-24/h3-4,7-8,10-11,13-14,21,25H,2,5-6,9,12,15-18H2,1H3.
What are the key properties of 1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperidin-1-ylpropan-2-ol?
1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperidin-1-ylpropan-2-ol has a molecular weight of 369.51 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 158523220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).