(2R,3R,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-ol

C19H24NO+ — CID 7071803

IUPAC(2R,3R,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-ol
SMILESC[C@@H]1[C@H](c2ccccc2)[NH+](C)CC[C@]1(O)c1ccccc1
InChIInChI=1S/C19H23NO/c1-15-18(16-9-5-3-6-10-16)20(2)14-13-19(15,21)17-11-7-4-8-12-17/h3-12,15,18,21H,13-14H2,1-2H3/p+1/t15-,18-,19-/m1/s1
InChIKeyMIQQNFDIJGZCGD-ATZDWAIDSA-O
MW282.41 g/mol
LogP2.17
Rot. Bonds2

About (2R,3R,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-ol

(2R,3R,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-ol (PubChem CID 7071803) has the molecular formula C19H24NO+ and a molecular weight of 282.41 g/mol. Its IUPAC name is (2R,3R,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name(2R,3R,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-ol
PubChem CID7071803
Molecular FormulaC19H24NO+
Molecular Weight282.41 g/mol
Exact Mass282.19
IUPAC Name(2R,3R,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-ol
SMILESC[C@@H]1[C@H](c2ccccc2)[NH+](C)CC[C@]1(O)c1ccccc1
InChIInChI=1S/C19H23NO/c1-15-18(16-9-5-3-6-10-16)20(2)14-13-19(15,21)17-11-7-4-8-12-17/h3-12,15,18,21H,13-14H2,1-2H3/p+1/t15-,18-,19-/m1/s1
InChIKeyMIQQNFDIJGZCGD-ATZDWAIDSA-O
XLogP2.17
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2R,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-yl]acetamide
CID 6935587
4-amino-1,3-dimethyl-2-phenylpiperidin-1-ium-4-carbonitrile
CID 4979098
(2S,3S,4R,6S)-4-(4-fluorophenyl)-1,3-dimethyl-2,6-diphenylpiperidin-1-ium-4-ol
CID 6967268
cis-(1R,2R)-1,2-diphenylcyclopropan-1-ol
CID 165358316
(5S,6R,7R)-6,8-dimethyl-7-phenyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dione
CID 7071831
(1S,2R,4R)-2,4-dimethyl-1-phenylcyclohexan-1-ol
CID 124508976
cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol
CID 12611391
(1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol
CID 95931344
[(2R,3S,4R)-1,2,3-trimethyl-4-phenylpiperidin-1-ium-4-yl] acetate
CID 7065841
(2R,3S,5S,6S)-1,3,5-trimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-1-ium-4-ol
CID 6602043
2-methyl-1-phenyl-3-phenylmethoxycyclobutan-1-ol
CID 172787553
trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol
CID 124681224

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-ol?
The IUPAC name of (2R,3R,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-ol (CID 7071803) is (2R,3R,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-ol.
What is the SMILES notation for (2R,3R,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-ol?
The canonical SMILES for (2R,3R,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-ol is C[C@@H]1[C@H](c2ccccc2)[NH+](C)CC[C@]1(O)c1ccccc1.
What is the InChIKey of (2R,3R,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-ol?
The InChIKey is MIQQNFDIJGZCGD-ATZDWAIDSA-O. The full InChI is InChI=1S/C19H23NO/c1-15-18(16-9-5-3-6-10-16)20(2)14-13-19(15,21)17-11-7-4-8-12-17/h3-12,15,18,21H,13-14H2,1-2H3/p+1/t15-,18-,19-/m1/s1.
What are the key properties of (2R,3R,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-ol?
(2R,3R,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-ol has a molecular weight of 282.41 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-ol is sourced from PubChem (CID 7071803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).