(3S,4R)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-4-(hydroxymethyl)piperidin-3-ol

C15H23NO4 — CID 155911283

IUPAC(3S,4R)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-4-(hydroxymethyl)piperidin-3-ol
SMILESOCCOc1ccccc1CN1CC[C@H](CO)[C@H](O)C1
InChIInChI=1S/C15H23NO4/c17-7-8-20-15-4-2-1-3-12(15)9-16-6-5-13(11-18)14(19)10-16/h1-4,13-14,17-19H,5-11H2/t13-,14-/m1/s1
InChIKeyHUGJEHGFLVHQPE-ZIAGYGMSSA-N
MW281.35 g/mol
LogP0.23
Rot. Bonds6

About (3S,4R)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-4-(hydroxymethyl)piperidin-3-ol

(3S,4R)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-4-(hydroxymethyl)piperidin-3-ol (PubChem CID 155911283) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is (3S,4R)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-4-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-4-(hydroxymethyl)piperidin-3-ol
PubChem CID155911283
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name(3S,4R)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-4-(hydroxymethyl)piperidin-3-ol
SMILESOCCOc1ccccc1CN1CC[C@H](CO)[C@H](O)C1
InChIInChI=1S/C15H23NO4/c17-7-8-20-15-4-2-1-3-12(15)9-16-6-5-13(11-18)14(19)10-16/h1-4,13-14,17-19H,5-11H2/t13-,14-/m1/s1
InChIKeyHUGJEHGFLVHQPE-ZIAGYGMSSA-N
XLogP0.23
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[(2-butoxyphenyl)methyl]pyrrolidin-3-ol
CID 86795938
2-[2-[(4-aminoazepan-1-yl)methyl]phenoxy]ethanol;dihydrochloride
CID 154900743
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
2-[2-[[(3S)-3-(4-fluoroanilino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 26335964
2-[2-[[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 42213563
N-[1-[(2-ethoxyphenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide
CID 156602331
2-[2-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]ethanol
CID 50963524
2-[2-[[(1R,5S)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]phenoxy]ethanol
CID 133113884
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
1-[(2-butoxyphenyl)methyl]piperidin-4-amine
CID 39257236
(3S,4R)-4-(hydroxymethyl)-1-(4-phenoxybutyl)piperidin-3-ol
CID 155510034
(3S)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(hydroxymethyl)piperidin-3-ol
CID 95891655

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-4-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of (3S,4R)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-4-(hydroxymethyl)piperidin-3-ol (CID 155911283) is (3S,4R)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-4-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for (3S,4R)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-4-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for (3S,4R)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-4-(hydroxymethyl)piperidin-3-ol is OCCOc1ccccc1CN1CC[C@H](CO)[C@H](O)C1.
What is the InChIKey of (3S,4R)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-4-(hydroxymethyl)piperidin-3-ol?
The InChIKey is HUGJEHGFLVHQPE-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H23NO4/c17-7-8-20-15-4-2-1-3-12(15)9-16-6-5-13(11-18)14(19)10-16/h1-4,13-14,17-19H,5-11H2/t13-,14-/m1/s1.
What are the key properties of (3S,4R)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-4-(hydroxymethyl)piperidin-3-ol?
(3S,4R)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-4-(hydroxymethyl)piperidin-3-ol has a molecular weight of 281.35 g/mol, XLogP of 0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-4-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 155911283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).