(2S,3S,4S,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-4-propylpiperidin-1-ium-4-ol

C23H32NO3+ — CID 11877186

IUPAC(2S,3S,4S,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-4-propylpiperidin-1-ium-4-ol
SMILESCCC[C@]1(O)C[C@H](c2ccc(OC)cc2)[NH2+]C(c2ccc(OC)cc2)[C@@H]1C
InChIInChI=1S/C23H31NO3/c1-5-14-23(25)15-21(17-6-10-19(26-3)11-7-17)24-22(16(23)2)18-8-12-20(27-4)13-9-18/h6-13,16,21-22,24-25H,5,14-15H2,1-4H3/p+1/t16-,21+,22?,23-/m0/s1
InChIKeyXVMYIMXBHZVAHC-CWEYIFPJSA-O
MW370.51 g/mol
LogP3.62
Rot. Bonds6

About (2S,3S,4S,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-4-propylpiperidin-1-ium-4-ol

(2S,3S,4S,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-4-propylpiperidin-1-ium-4-ol (PubChem CID 11877186) has the molecular formula C23H32NO3+ and a molecular weight of 370.51 g/mol. Its IUPAC name is (2S,3S,4S,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-4-propylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name(2S,3S,4S,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-4-propylpiperidin-1-ium-4-ol
PubChem CID11877186
Molecular FormulaC23H32NO3+
Molecular Weight370.51 g/mol
Exact Mass370.24
IUPAC Name(2S,3S,4S,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-4-propylpiperidin-1-ium-4-ol
SMILESCCC[C@]1(O)C[C@H](c2ccc(OC)cc2)[NH2+]C(c2ccc(OC)cc2)[C@@H]1C
InChIInChI=1S/C23H31NO3/c1-5-14-23(25)15-21(17-6-10-19(26-3)11-7-17)24-22(16(23)2)18-8-12-20(27-4)13-9-18/h6-13,16,21-22,24-25H,5,14-15H2,1-4H3/p+1/t16-,21+,22?,23-/m0/s1
InChIKeyXVMYIMXBHZVAHC-CWEYIFPJSA-O
XLogP3.62
TPSA55.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.51
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3S,4S,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-4-propylpiperidin-1-ium-4-ol with MolForge

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Related Compounds

2,6-bis(4-methoxyphenyl)-3-methyl-4-(2-phenylethynyl)piperidin-1-ium-4-ol chloride
CID 44658150
(2S,3R,4R,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol
CID 7281626
4-butyl-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-ol;hydrochloride
CID 2854780
(2S,3R,4R,6S)-4-benzyl-2,6-diphenyl-3-propylpiperidin-1-ium-4-ol
CID 7281617
4-benzyl-3-ethyl-2,6-diphenylpiperidin-1-ium-4-ol
CID 3897493
2-(4-methoxyphenyl)-5,7-dipropyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ol
CID 7438096
[(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 121001967
(2R,3R,5S,6S)-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-1-ium-4-one
CID 7064593
1-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-ol
CID 103564336
2,2-diethyl-3-(4-methoxyphenyl)-4-methylcyclobutan-1-ol
CID 81422138
(2S,3R,4S,6R)-2,6-bis(4-chlorophenyl)-3-methyl-4-propylpiperidin-4-ol
CID 2065827
2-ethyl-1-(4-methoxyphenyl)cyclopropan-1-ol
CID 79332791

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-4-propylpiperidin-1-ium-4-ol?
The IUPAC name of (2S,3S,4S,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-4-propylpiperidin-1-ium-4-ol (CID 11877186) is (2S,3S,4S,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-4-propylpiperidin-1-ium-4-ol.
What is the SMILES notation for (2S,3S,4S,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-4-propylpiperidin-1-ium-4-ol?
The canonical SMILES for (2S,3S,4S,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-4-propylpiperidin-1-ium-4-ol is CCC[C@]1(O)C[C@H](c2ccc(OC)cc2)[NH2+]C(c2ccc(OC)cc2)[C@@H]1C.
What is the InChIKey of (2S,3S,4S,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-4-propylpiperidin-1-ium-4-ol?
The InChIKey is XVMYIMXBHZVAHC-CWEYIFPJSA-O. The full InChI is InChI=1S/C23H31NO3/c1-5-14-23(25)15-21(17-6-10-19(26-3)11-7-17)24-22(16(23)2)18-8-12-20(27-4)13-9-18/h6-13,16,21-22,24-25H,5,14-15H2,1-4H3/p+1/t16-,21+,22?,23-/m0/s1.
What are the key properties of (2S,3S,4S,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-4-propylpiperidin-1-ium-4-ol?
(2S,3S,4S,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-4-propylpiperidin-1-ium-4-ol has a molecular weight of 370.51 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,6R)-2,6-bis(4-methoxyphenyl)-3-methyl-4-propylpiperidin-1-ium-4-ol is sourced from PubChem (CID 11877186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).