(3R)-3-(4-ethoxyphenyl)-1-piperidin-1-ylhexan-3-ol

C19H31NO2 — CID 775832

IUPAC(3R)-3-(4-ethoxyphenyl)-1-piperidin-1-ylhexan-3-ol
SMILESCCC[C@@](O)(CCN1CCCCC1)c1ccc(OCC)cc1
InChIInChI=1S/C19H31NO2/c1-3-12-19(21,13-16-20-14-6-5-7-15-20)17-8-10-18(11-9-17)22-4-2/h8-11,21H,3-7,12-16H2,1-2H3/t19-/m1/s1
InChIKeyYOQFXMGOEPNAED-LJQANCHMSA-N
MW305.46 g/mol
LogP3.95
Rot. Bonds8

About (3R)-3-(4-ethoxyphenyl)-1-piperidin-1-ylhexan-3-ol

(3R)-3-(4-ethoxyphenyl)-1-piperidin-1-ylhexan-3-ol (PubChem CID 775832) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is (3R)-3-(4-ethoxyphenyl)-1-piperidin-1-ylhexan-3-ol.

Molecular Properties

Compound Name(3R)-3-(4-ethoxyphenyl)-1-piperidin-1-ylhexan-3-ol
PubChem CID775832
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name(3R)-3-(4-ethoxyphenyl)-1-piperidin-1-ylhexan-3-ol
SMILESCCC[C@@](O)(CCN1CCCCC1)c1ccc(OCC)cc1
InChIInChI=1S/C19H31NO2/c1-3-12-19(21,13-16-20-14-6-5-7-15-20)17-8-10-18(11-9-17)22-4-2/h8-11,21H,3-7,12-16H2,1-2H3/t19-/m1/s1
InChIKeyYOQFXMGOEPNAED-LJQANCHMSA-N
XLogP3.95
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxyphenyl)-1-piperidin-1-ylhexan-3-ol
CID 3125347
3-(4-ethoxyphenyl)-1-piperidin-1-ylpentan-3-ol;hydrochloride
CID 126477875
(3R)-3-(4-butoxyphenyl)-1-piperidin-1-ylpentan-3-ol
CID 7183676
4-(4-ethoxyphenyl)heptan-4-ol
CID 114865928
(2S,3S)-1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenylhexan-3-ol
CID 40643748
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
(2R,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 40643792
(1R)-1-cyclohexyl-1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 1114639
3-(4-ethoxyphenyl)pentan-3-ol
CID 62788135
4-ethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237098
1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]piperidine
CID 70865812
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-ethoxyphenyl)-1-piperidin-1-ylhexan-3-ol?
The IUPAC name of (3R)-3-(4-ethoxyphenyl)-1-piperidin-1-ylhexan-3-ol (CID 775832) is (3R)-3-(4-ethoxyphenyl)-1-piperidin-1-ylhexan-3-ol.
What is the SMILES notation for (3R)-3-(4-ethoxyphenyl)-1-piperidin-1-ylhexan-3-ol?
The canonical SMILES for (3R)-3-(4-ethoxyphenyl)-1-piperidin-1-ylhexan-3-ol is CCC[C@@](O)(CCN1CCCCC1)c1ccc(OCC)cc1.
What is the InChIKey of (3R)-3-(4-ethoxyphenyl)-1-piperidin-1-ylhexan-3-ol?
The InChIKey is YOQFXMGOEPNAED-LJQANCHMSA-N. The full InChI is InChI=1S/C19H31NO2/c1-3-12-19(21,13-16-20-14-6-5-7-15-20)17-8-10-18(11-9-17)22-4-2/h8-11,21H,3-7,12-16H2,1-2H3/t19-/m1/s1.
What are the key properties of (3R)-3-(4-ethoxyphenyl)-1-piperidin-1-ylhexan-3-ol?
(3R)-3-(4-ethoxyphenyl)-1-piperidin-1-ylhexan-3-ol has a molecular weight of 305.46 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-ethoxyphenyl)-1-piperidin-1-ylhexan-3-ol is sourced from PubChem (CID 775832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).