(1R,4R)-1-phenyl-5-piperidin-1-ylpent-2-ene-1,4-diol

C16H23NO2 — CID 177487208

IUPAC(1R,4R)-1-phenyl-5-piperidin-1-ylpent-2-ene-1,4-diol
SMILESO[C@H](C=C[C@@H](O)c1ccccc1)CN1CCCCC1
InChIInChI=1S/C16H23NO2/c18-15(13-17-11-5-2-6-12-17)9-10-16(19)14-7-3-1-4-8-14/h1,3-4,7-10,15-16,18-19H,2,5-6,11-13H2/t15-,16-/m1/s1
InChIKeyJAFRJMSOFFGLCJ-HZPDHXFCSA-N
MW261.37 g/mol
LogP2.12
Rot. Bonds5

About (1R,4R)-1-phenyl-5-piperidin-1-ylpent-2-ene-1,4-diol

(1R,4R)-1-phenyl-5-piperidin-1-ylpent-2-ene-1,4-diol (PubChem CID 177487208) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (1R,4R)-1-phenyl-5-piperidin-1-ylpent-2-ene-1,4-diol.

Molecular Properties

Compound Name(1R,4R)-1-phenyl-5-piperidin-1-ylpent-2-ene-1,4-diol
PubChem CID177487208
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(1R,4R)-1-phenyl-5-piperidin-1-ylpent-2-ene-1,4-diol
SMILESO[C@H](C=C[C@@H](O)c1ccccc1)CN1CCCCC1
InChIInChI=1S/C16H23NO2/c18-15(13-17-11-5-2-6-12-17)9-10-16(19)14-7-3-1-4-8-14/h1,3-4,7-10,15-16,18-19H,2,5-6,11-13H2/t15-,16-/m1/s1
InChIKeyJAFRJMSOFFGLCJ-HZPDHXFCSA-N
XLogP2.12
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,5R)-5-phenyl-1-piperidin-1-yl-5-tributylsilyloxypent-3-en-2-ol
CID 177418832
(Z)-1,4-diphenylbut-2-ene-1,4-diol
CID 12815414
(E)-1,3-diphenyl-4-pyrrolidin-1-ylbut-2-en-1-ol
CID 91991271
2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride
CID 67449753
1-(2,2-diphenylethoxy)-3-piperidin-1-ylpropan-2-ol
CID 43865699
(1S,2R)-3-(azepan-1-yl)-1-(4-bromophenyl)-2-phenylpropan-1-ol
CID 31196420
2-phenyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 119031136
(2R,3R)-3-hydroxy-3-phenyl-2-(pyrrolidin-1-ylmethyl)propanenitrile
CID 94173528
(2S,3S)-3-hydroxy-3-phenyl-2-(pyrrolidin-1-ylmethyl)propanenitrile
CID 94173527
(2R)-1-(2,2-diphenylethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 51975293
(2S)-1-[(2S)-2-phenylpropoxy]-3-piperidin-1-ylpropan-2-ol
CID 7388824
1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729010

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-1-phenyl-5-piperidin-1-ylpent-2-ene-1,4-diol?
The IUPAC name of (1R,4R)-1-phenyl-5-piperidin-1-ylpent-2-ene-1,4-diol (CID 177487208) is (1R,4R)-1-phenyl-5-piperidin-1-ylpent-2-ene-1,4-diol.
What is the SMILES notation for (1R,4R)-1-phenyl-5-piperidin-1-ylpent-2-ene-1,4-diol?
The canonical SMILES for (1R,4R)-1-phenyl-5-piperidin-1-ylpent-2-ene-1,4-diol is O[C@H](C=C[C@@H](O)c1ccccc1)CN1CCCCC1.
What is the InChIKey of (1R,4R)-1-phenyl-5-piperidin-1-ylpent-2-ene-1,4-diol?
The InChIKey is JAFRJMSOFFGLCJ-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H23NO2/c18-15(13-17-11-5-2-6-12-17)9-10-16(19)14-7-3-1-4-8-14/h1,3-4,7-10,15-16,18-19H,2,5-6,11-13H2/t15-,16-/m1/s1.
What are the key properties of (1R,4R)-1-phenyl-5-piperidin-1-ylpent-2-ene-1,4-diol?
(1R,4R)-1-phenyl-5-piperidin-1-ylpent-2-ene-1,4-diol has a molecular weight of 261.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-1-phenyl-5-piperidin-1-ylpent-2-ene-1,4-diol is sourced from PubChem (CID 177487208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).