(3R,4R)-1-[(2-ethoxyphenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol

C20H31NO3 — CID 72880822

IUPAC(3R,4R)-1-[(2-ethoxyphenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol
SMILESCCOc1ccccc1CN1CC[C@@](O)(C2CCOCC2)[C@H](C)C1
InChIInChI=1S/C20H31NO3/c1-3-24-19-7-5-4-6-17(19)15-21-11-10-20(22,16(2)14-21)18-8-12-23-13-9-18/h4-7,16,18,22H,3,8-15H2,1-2H3/t16-,20+/m1/s1
InChIKeySOEZGTUZQOKUHT-UZLBHIALSA-N
MW333.47 g/mol
LogP3.08
Rot. Bonds5

About (3R,4R)-1-[(2-ethoxyphenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol

(3R,4R)-1-[(2-ethoxyphenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol (PubChem CID 72880822) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is (3R,4R)-1-[(2-ethoxyphenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(2-ethoxyphenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol
PubChem CID72880822
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name(3R,4R)-1-[(2-ethoxyphenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol
SMILESCCOc1ccccc1CN1CC[C@@](O)(C2CCOCC2)[C@H](C)C1
InChIInChI=1S/C20H31NO3/c1-3-24-19-7-5-4-6-17(19)15-21-11-10-20(22,16(2)14-21)18-8-12-23-13-9-18/h4-7,16,18,22H,3,8-15H2,1-2H3/t16-,20+/m1/s1
InChIKeySOEZGTUZQOKUHT-UZLBHIALSA-N
XLogP3.08
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-1-[(2-ethoxyphenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol with MolForge

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Related Compounds

2-[2-[[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 70762122
(3R,4R)-4-cyclopropyl-3-methyl-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-4-ol
CID 72877253
(3R,4R)-1-[(2-ethoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol
CID 72852998
(3R,4R)-1-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 72861837
1-(furan-3-ylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 156603731
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol
CID 72847808
(3R,4R)-3-methyl-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-4-(oxan-4-yl)piperidin-4-ol
CID 70712878
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-(2-phenylmethoxyethyl)piperidin-4-ol
CID 72869524
(3R,4R)-1-(cyclopentylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 86283593
(3R,4R)-4-cyclopropyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylpiperidin-4-ol
CID 70717089
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-4-ol
CID 70721365
(5R)-9-[(2-ethoxyphenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane
CID 124980177

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(2-ethoxyphenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
The IUPAC name of (3R,4R)-1-[(2-ethoxyphenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol (CID 72880822) is (3R,4R)-1-[(2-ethoxyphenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-[(2-ethoxyphenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
The canonical SMILES for (3R,4R)-1-[(2-ethoxyphenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol is CCOc1ccccc1CN1CC[C@@](O)(C2CCOCC2)[C@H](C)C1.
What is the InChIKey of (3R,4R)-1-[(2-ethoxyphenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
The InChIKey is SOEZGTUZQOKUHT-UZLBHIALSA-N. The full InChI is InChI=1S/C20H31NO3/c1-3-24-19-7-5-4-6-17(19)15-21-11-10-20(22,16(2)14-21)18-8-12-23-13-9-18/h4-7,16,18,22H,3,8-15H2,1-2H3/t16-,20+/m1/s1.
What are the key properties of (3R,4R)-1-[(2-ethoxyphenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
(3R,4R)-1-[(2-ethoxyphenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol has a molecular weight of 333.47 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(2-ethoxyphenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol is sourced from PubChem (CID 72880822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).