3-(4-hydroxy-1-propylpiperidin-4-yl)-5-(3-methylsulfanylphenyl)-1-propylpiperidin-4-ol

C23H38N2O2S — CID 140893568

IUPAC3-(4-hydroxy-1-propylpiperidin-4-yl)-5-(3-methylsulfanylphenyl)-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)(C2CN(CCC)CC(c3cccc(SC)c3)C2O)CC1
InChIInChI=1S/C23H38N2O2S/c1-4-11-24-13-9-23(27,10-14-24)21-17-25(12-5-2)16-20(22(21)26)18-7-6-8-19(15-18)28-3/h6-8,15,20-22,26-27H,4-5,9-14,16-17H2,1-3H3
InChIKeyGZGSDYATSGXPBM-UHFFFAOYSA-N
MW406.64 g/mol
LogP3.43
Rot. Bonds7

About 3-(4-hydroxy-1-propylpiperidin-4-yl)-5-(3-methylsulfanylphenyl)-1-propylpiperidin-4-ol

3-(4-hydroxy-1-propylpiperidin-4-yl)-5-(3-methylsulfanylphenyl)-1-propylpiperidin-4-ol (PubChem CID 140893568) has the molecular formula C23H38N2O2S and a molecular weight of 406.64 g/mol. Its IUPAC name is 3-(4-hydroxy-1-propylpiperidin-4-yl)-5-(3-methylsulfanylphenyl)-1-propylpiperidin-4-ol.

Molecular Properties

Compound Name3-(4-hydroxy-1-propylpiperidin-4-yl)-5-(3-methylsulfanylphenyl)-1-propylpiperidin-4-ol
PubChem CID140893568
Molecular FormulaC23H38N2O2S
Molecular Weight406.64 g/mol
Exact Mass406.27
IUPAC Name3-(4-hydroxy-1-propylpiperidin-4-yl)-5-(3-methylsulfanylphenyl)-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)(C2CN(CCC)CC(c3cccc(SC)c3)C2O)CC1
InChIInChI=1S/C23H38N2O2S/c1-4-11-24-13-9-23(27,10-14-24)21-17-25(12-5-2)16-20(22(21)26)18-7-6-8-19(15-18)28-3/h6-8,15,20-22,26-27H,4-5,9-14,16-17H2,1-3H3
InChIKeyGZGSDYATSGXPBM-UHFFFAOYSA-N
XLogP3.43
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.64
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

lithium 4-(3-methylsulfanylphenyl)-1-propylpiperidin-4-olate
CID 140768379
1-bromo-3-methylsulfanylbenzene;4-(3-methylsulfanylphenyl)-1-propylpiperidin-4-ol;1-propylpiperidin-4-one;hydrochloride
CID 158327338
4-(2,3-difluorophenyl)-1-ethylpiperidin-4-ol;4-(2,3-difluorophenyl)-1-propylpiperidin-4-ol
CID 158903021
4-[(3-methylsulfanylphenyl)methyl]-1-propyl-3,6-dihydro-2H-pyridine
CID 126494328
(3S,4S)-4-(2-methoxyethyl)-3-methyl-1-[(3-methylsulfanylphenyl)methyl]piperidin-4-ol
CID 133112471
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-propylpiperidin-4-ol
CID 79739783
1-[(3-methylsulfanylphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 74241252
4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol
CID 116542318
4-[(2-chloro-4-fluorophenyl)methyl]-1-propylpiperidin-4-ol
CID 65146803
3-[1-(3-fluorobenzoyl)piperidin-4-yl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084230
4-ethyl-1-propylpiperidin-4-ol
CID 60895499
3-[(4aS,8aS)-2-propyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-yl]phenol
CID 14020593

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-1-propylpiperidin-4-yl)-5-(3-methylsulfanylphenyl)-1-propylpiperidin-4-ol?
The IUPAC name of 3-(4-hydroxy-1-propylpiperidin-4-yl)-5-(3-methylsulfanylphenyl)-1-propylpiperidin-4-ol (CID 140893568) is 3-(4-hydroxy-1-propylpiperidin-4-yl)-5-(3-methylsulfanylphenyl)-1-propylpiperidin-4-ol.
What is the SMILES notation for 3-(4-hydroxy-1-propylpiperidin-4-yl)-5-(3-methylsulfanylphenyl)-1-propylpiperidin-4-ol?
The canonical SMILES for 3-(4-hydroxy-1-propylpiperidin-4-yl)-5-(3-methylsulfanylphenyl)-1-propylpiperidin-4-ol is CCCN1CCC(O)(C2CN(CCC)CC(c3cccc(SC)c3)C2O)CC1.
What is the InChIKey of 3-(4-hydroxy-1-propylpiperidin-4-yl)-5-(3-methylsulfanylphenyl)-1-propylpiperidin-4-ol?
The InChIKey is GZGSDYATSGXPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O2S/c1-4-11-24-13-9-23(27,10-14-24)21-17-25(12-5-2)16-20(22(21)26)18-7-6-8-19(15-18)28-3/h6-8,15,20-22,26-27H,4-5,9-14,16-17H2,1-3H3.
What are the key properties of 3-(4-hydroxy-1-propylpiperidin-4-yl)-5-(3-methylsulfanylphenyl)-1-propylpiperidin-4-ol?
3-(4-hydroxy-1-propylpiperidin-4-yl)-5-(3-methylsulfanylphenyl)-1-propylpiperidin-4-ol has a molecular weight of 406.64 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-1-propylpiperidin-4-yl)-5-(3-methylsulfanylphenyl)-1-propylpiperidin-4-ol is sourced from PubChem (CID 140893568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).