(1R)-1-(3-methylphenyl)-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-ol

C24H34NO2+ — CID 2173023

IUPAC(1R)-1-(3-methylphenyl)-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-ol
SMILESCCCOc1ccc([C@](O)(CC[NH+]2CCCCC2)c2cccc(C)c2)cc1
InChIInChI=1S/C24H33NO2/c1-3-18-27-23-12-10-21(11-13-23)24(26,22-9-7-8-20(2)19-22)14-17-25-15-5-4-6-16-25/h7-13,19,26H,3-6,14-18H2,1-2H3/p+1/t24-/m1/s1
InChIKeyOPRJXLALLTVEEO-XMMPIXPASA-O
MW368.54 g/mol
LogP3.48
Rot. Bonds8

About (1R)-1-(3-methylphenyl)-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-ol

(1R)-1-(3-methylphenyl)-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-ol (PubChem CID 2173023) has the molecular formula C24H34NO2+ and a molecular weight of 368.54 g/mol. Its IUPAC name is (1R)-1-(3-methylphenyl)-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(1R)-1-(3-methylphenyl)-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-ol
PubChem CID2173023
Molecular FormulaC24H34NO2+
Molecular Weight368.54 g/mol
Exact Mass368.26
IUPAC Name(1R)-1-(3-methylphenyl)-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-ol
SMILESCCCOc1ccc([C@](O)(CC[NH+]2CCCCC2)c2cccc(C)c2)cc1
InChIInChI=1S/C24H33NO2/c1-3-18-27-23-12-10-21(11-13-23)24(26,22-9-7-8-20(2)19-22)14-17-25-15-5-4-6-16-25/h7-13,19,26H,3-6,14-18H2,1-2H3/p+1/t24-/m1/s1
InChIKeyOPRJXLALLTVEEO-XMMPIXPASA-O
XLogP3.48
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R)-1-(3-methylphenyl)-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(2-methoxyphenyl)-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-ol
CID 7281173
1-[2-[2-(3-methylphenoxy)ethoxy]ethyl]azepan-1-ium
CID 2183757
3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-one
CID 3609295
2-(4-butoxyphenyl)-4-morpholin-4-ium-4-ylbutan-2-ol
CID 5179668
1-ethyl-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperazine-1,4-diium
CID 7479474
1-[2-(4-methoxyphenoxy)ethyl]azepan-1-ium
CID 7412859
(2R)-2-(3-methylphenyl)pentan-2-ol
CID 93299051
2-piperidin-1-ium-1-ylethyl 2-hydroxy-4-propoxybenzoate
CID 7038275
1-(4-ethoxyphenyl)-1-phenylbutan-1-ol
CID 62786789
1-(4-ethoxyphenyl)-1-(3-methylphenyl)ethanamine
CID 55116130
6-methyl-3-phenyl-1-piperidin-1-ium-1-ylheptan-3-ol
CID 3354538
(1S,2S)-1-(furan-2-yl)-2-phenyl-1-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]butan-1-ol
CID 7054994

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methylphenyl)-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-ol?
The IUPAC name of (1R)-1-(3-methylphenyl)-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-ol (CID 2173023) is (1R)-1-(3-methylphenyl)-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-ol.
What is the SMILES notation for (1R)-1-(3-methylphenyl)-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-ol?
The canonical SMILES for (1R)-1-(3-methylphenyl)-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-ol is CCCOc1ccc([C@](O)(CC[NH+]2CCCCC2)c2cccc(C)c2)cc1.
What is the InChIKey of (1R)-1-(3-methylphenyl)-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-ol?
The InChIKey is OPRJXLALLTVEEO-XMMPIXPASA-O. The full InChI is InChI=1S/C24H33NO2/c1-3-18-27-23-12-10-21(11-13-23)24(26,22-9-7-8-20(2)19-22)14-17-25-15-5-4-6-16-25/h7-13,19,26H,3-6,14-18H2,1-2H3/p+1/t24-/m1/s1.
What are the key properties of (1R)-1-(3-methylphenyl)-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-ol?
(1R)-1-(3-methylphenyl)-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-ol has a molecular weight of 368.54 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methylphenyl)-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-ol is sourced from PubChem (CID 2173023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).