(3S,4S)-4-benzyl-1-[2-(4-hydroxyphenoxy)ethyl]piperidine-3,4-diol

C20H25NO4 — CID 10154506

IUPAC(3S,4S)-4-benzyl-1-[2-(4-hydroxyphenoxy)ethyl]piperidine-3,4-diol
SMILESOc1ccc(OCCN2CC[C@@](O)(Cc3ccccc3)[C@@H](O)C2)cc1
InChIInChI=1S/C20H25NO4/c22-17-6-8-18(9-7-17)25-13-12-21-11-10-20(24,19(23)15-21)14-16-4-2-1-3-5-16/h1-9,19,22-24H,10-15H2/t19-,20+/m0/s1
InChIKeyQDLSQZUNQXEAFR-VQTJNVASSA-N
MW343.42 g/mol
LogP1.81
Rot. Bonds6

About (3S,4S)-4-benzyl-1-[2-(4-hydroxyphenoxy)ethyl]piperidine-3,4-diol

(3S,4S)-4-benzyl-1-[2-(4-hydroxyphenoxy)ethyl]piperidine-3,4-diol (PubChem CID 10154506) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is (3S,4S)-4-benzyl-1-[2-(4-hydroxyphenoxy)ethyl]piperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S)-4-benzyl-1-[2-(4-hydroxyphenoxy)ethyl]piperidine-3,4-diol
PubChem CID10154506
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name(3S,4S)-4-benzyl-1-[2-(4-hydroxyphenoxy)ethyl]piperidine-3,4-diol
SMILESOc1ccc(OCCN2CC[C@@](O)(Cc3ccccc3)[C@@H](O)C2)cc1
InChIInChI=1S/C20H25NO4/c22-17-6-8-18(9-7-17)25-13-12-21-11-10-20(24,19(23)15-21)14-16-4-2-1-3-5-16/h1-9,19,22-24H,10-15H2/t19-,20+/m0/s1
InChIKeyQDLSQZUNQXEAFR-VQTJNVASSA-N
XLogP1.81
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-hydroxyphenoxy)ethyl]-4-phenylpiperidin-4-ol
CID 23294468
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
4-(aminomethyl)-1-(2-phenoxyethyl)piperidin-4-ol
CID 95461531
4-benzyl-1-[2-[4-(1-methylbenzimidazol-2-yl)oxyphenoxy]ethyl]piperidin-4-ol
CID 90882428
(5R)-9-(2-phenoxyethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 124965240
4-[2-[4-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
CID 23294474
(3S)-1-[2-(4-methoxyphenoxy)ethyl]-3-phenylpyrrolidin-3-ol
CID 124843631
4-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
CID 23294365
(3R)-3-fluoro-1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidine
CID 178065004
oxalic acid;1-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine
CID 2944466
4-benzyl-1-[2-(4-hydroxyanilino)ethyl]piperidin-4-ol
CID 70046120
4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenol
CID 8691218

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-benzyl-1-[2-(4-hydroxyphenoxy)ethyl]piperidine-3,4-diol?
The IUPAC name of (3S,4S)-4-benzyl-1-[2-(4-hydroxyphenoxy)ethyl]piperidine-3,4-diol (CID 10154506) is (3S,4S)-4-benzyl-1-[2-(4-hydroxyphenoxy)ethyl]piperidine-3,4-diol.
What is the SMILES notation for (3S,4S)-4-benzyl-1-[2-(4-hydroxyphenoxy)ethyl]piperidine-3,4-diol?
The canonical SMILES for (3S,4S)-4-benzyl-1-[2-(4-hydroxyphenoxy)ethyl]piperidine-3,4-diol is Oc1ccc(OCCN2CC[C@@](O)(Cc3ccccc3)[C@@H](O)C2)cc1.
What is the InChIKey of (3S,4S)-4-benzyl-1-[2-(4-hydroxyphenoxy)ethyl]piperidine-3,4-diol?
The InChIKey is QDLSQZUNQXEAFR-VQTJNVASSA-N. The full InChI is InChI=1S/C20H25NO4/c22-17-6-8-18(9-7-17)25-13-12-21-11-10-20(24,19(23)15-21)14-16-4-2-1-3-5-16/h1-9,19,22-24H,10-15H2/t19-,20+/m0/s1.
What are the key properties of (3S,4S)-4-benzyl-1-[2-(4-hydroxyphenoxy)ethyl]piperidine-3,4-diol?
(3S,4S)-4-benzyl-1-[2-(4-hydroxyphenoxy)ethyl]piperidine-3,4-diol has a molecular weight of 343.42 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-benzyl-1-[2-(4-hydroxyphenoxy)ethyl]piperidine-3,4-diol is sourced from PubChem (CID 10154506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).