(3R)-1-[1-(2-phenylethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-ol

C18H30N2O+2 — CID 7047298

IUPAC(3R)-1-[1-(2-phenylethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-ol
SMILESO[C@@H]1CCC[NH+](C2CC[NH+](CCc3ccccc3)CC2)C1
InChIInChI=1S/C18H28N2O/c21-18-7-4-11-20(15-18)17-9-13-19(14-10-17)12-8-16-5-2-1-3-6-16/h1-3,5-6,17-18,21H,4,7-15H2/p+2/t18-/m1/s1
InChIKeySZVSQICNJKOEAI-GOSISDBHSA-P
MW290.45 g/mol
LogP-0.68
Rot. Bonds4

About (3R)-1-[1-(2-phenylethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-ol

(3R)-1-[1-(2-phenylethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-ol (PubChem CID 7047298) has the molecular formula C18H30N2O+2 and a molecular weight of 290.45 g/mol. Its IUPAC name is (3R)-1-[1-(2-phenylethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-ol.

Molecular Properties

Compound Name(3R)-1-[1-(2-phenylethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-ol
PubChem CID7047298
Molecular FormulaC18H30N2O+2
Molecular Weight290.45 g/mol
Exact Mass290.23
IUPAC Name(3R)-1-[1-(2-phenylethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-ol
SMILESO[C@@H]1CCC[NH+](C2CC[NH+](CCc3ccccc3)CC2)C1
InChIInChI=1S/C18H28N2O/c21-18-7-4-11-20(15-18)17-9-13-19(14-10-17)12-8-16-5-2-1-3-6-16/h1-3,5-6,17-18,21H,4,7-15H2/p+2/t18-/m1/s1
InChIKeySZVSQICNJKOEAI-GOSISDBHSA-P
XLogP-0.68
TPSA29.11 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze (3R)-1-[1-(2-phenylethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-ol with MolForge

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Related Compounds

(3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-1-ium-4-yl]piperidin-1-ium
CID 7047233
[(3S)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanol
CID 7047277
1-benzyl-4-[(3R)-3-methylpiperidin-1-ium-1-yl]piperidin-1-ium
CID 7445786
1-cyclohexyl-4-(3-phenylpropyl)piperazine-1,4-diium
CID 4584207
(1S,5R)-1,3,3-trimethyl-6-[1-(2-phenylethyl)piperidin-1-ium-4-yl]-6-azoniabicyclo[3.2.1]octane
CID 7302632
N-(2-phenylethyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide
CID 7437027
1-(2-phenylethyl)-1,4-diazepane-1,4-diium
CID 7009132
(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-ol
CID 6939510
1-benzyl-4-cyclopentylpiperazine-1,4-diium
CID 7108959
1-(4-methylphenyl)-4-(2-phenylethyl)piperazin-4-ium
CID 6942812
(3R)-1-benzyl-3-methylpiperidin-1-ium
CID 7170878
2-[1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 3526276

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(2-phenylethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-ol?
The IUPAC name of (3R)-1-[1-(2-phenylethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-ol (CID 7047298) is (3R)-1-[1-(2-phenylethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-ol.
What is the SMILES notation for (3R)-1-[1-(2-phenylethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-ol?
The canonical SMILES for (3R)-1-[1-(2-phenylethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-ol is O[C@@H]1CCC[NH+](C2CC[NH+](CCc3ccccc3)CC2)C1.
What is the InChIKey of (3R)-1-[1-(2-phenylethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-ol?
The InChIKey is SZVSQICNJKOEAI-GOSISDBHSA-P. The full InChI is InChI=1S/C18H28N2O/c21-18-7-4-11-20(15-18)17-9-13-19(14-10-17)12-8-16-5-2-1-3-6-16/h1-3,5-6,17-18,21H,4,7-15H2/p+2/t18-/m1/s1.
What are the key properties of (3R)-1-[1-(2-phenylethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-ol?
(3R)-1-[1-(2-phenylethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-ol has a molecular weight of 290.45 g/mol, XLogP of -0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(2-phenylethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-ol is sourced from PubChem (CID 7047298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).