(3R)-1-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-ol

C15H23NO3 — CID 100835791

IUPAC(3R)-1-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-ol
SMILESCc1ccc(OC[C@H](O)CN2CCC[C@@H](O)C2)cc1
InChIInChI=1S/C15H23NO3/c1-12-4-6-15(7-5-12)19-11-14(18)10-16-8-2-3-13(17)9-16/h4-7,13-14,17-18H,2-3,8-11H2,1H3/t13-,14-/m1/s1
InChIKeyURWMWFHORKDXSC-ZIAGYGMSSA-N
MW265.35 g/mol
LogP1.19
Rot. Bonds5

About (3R)-1-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-ol

(3R)-1-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-ol (PubChem CID 100835791) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (3R)-1-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-ol
PubChem CID100835791
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(3R)-1-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-ol
SMILESCc1ccc(OC[C@H](O)CN2CCC[C@@H](O)C2)cc1
InChIInChI=1S/C15H23NO3/c1-12-4-6-15(7-5-12)19-11-14(18)10-16-8-2-3-13(17)9-16/h4-7,13-14,17-18H,2-3,8-11H2,1H3/t13-,14-/m1/s1
InChIKeyURWMWFHORKDXSC-ZIAGYGMSSA-N
XLogP1.19
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperidin-3-ol
CID 110877607
1-[3-[4-(4-chlorophenyl)phenoxy]-2-hydroxypropyl]piperidin-3-ol
CID 21396143
4-[2-hydroxy-3-(3-hydroxypiperidin-1-yl)propoxy]benzonitrile
CID 56809850
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
(3S)-1-[3-(4-bromophenoxy)-2-hydroxypropyl]pyrrolidin-3-ol
CID 111123162
N-[[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 110922141
[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 55506480
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 51422999
(3S)-1-(2-hydroxy-3-methoxypropyl)piperidin-3-ol
CID 107226168
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 7447463
(2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 8741482
(3S)-1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]pyrrolidin-3-ol
CID 111123240

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-ol?
The IUPAC name of (3R)-1-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-ol (CID 100835791) is (3R)-1-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-ol is Cc1ccc(OC[C@H](O)CN2CCC[C@@H](O)C2)cc1.
What is the InChIKey of (3R)-1-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-ol?
The InChIKey is URWMWFHORKDXSC-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12-4-6-15(7-5-12)19-11-14(18)10-16-8-2-3-13(17)9-16/h4-7,13-14,17-18H,2-3,8-11H2,1H3/t13-,14-/m1/s1.
What are the key properties of (3R)-1-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-ol?
(3R)-1-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-ol has a molecular weight of 265.35 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-ol is sourced from PubChem (CID 100835791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).