(2S,4R,5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-1-ium-4-ol

C17H28NO+ — CID 6983209

IUPAC(2S,4R,5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-1-ium-4-ol
SMILESCC(C)C[NH+]1C[C@H](C)[C@@](O)(c2ccccc2)C[C@@H]1C
InChIInChI=1S/C17H27NO/c1-13(2)11-18-12-14(3)17(19,10-15(18)4)16-8-6-5-7-9-16/h5-9,13-15,19H,10-12H2,1-4H3/p+1/t14-,15-,17+/m0/s1
InChIKeyXQQQNSXVHJHKJP-YQQAZPJKSA-O
MW262.42 g/mol
LogP1.84
Rot. Bonds3

About (2S,4R,5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-1-ium-4-ol

(2S,4R,5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-1-ium-4-ol (PubChem CID 6983209) has the molecular formula C17H28NO+ and a molecular weight of 262.42 g/mol. Its IUPAC name is (2S,4R,5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name(2S,4R,5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-1-ium-4-ol
PubChem CID6983209
Molecular FormulaC17H28NO+
Molecular Weight262.42 g/mol
Exact Mass262.22
IUPAC Name(2S,4R,5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-1-ium-4-ol
SMILESCC(C)C[NH+]1C[C@H](C)[C@@](O)(c2ccccc2)C[C@@H]1C
InChIInChI=1S/C17H27NO/c1-13(2)11-18-12-14(3)17(19,10-15(18)4)16-8-6-5-7-9-16/h5-9,13-15,19H,10-12H2,1-4H3/p+1/t14-,15-,17+/m0/s1
InChIKeyXQQQNSXVHJHKJP-YQQAZPJKSA-O
XLogP1.84
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (2S,4R,5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-1-ium-4-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

(2R,4S,5S)-2,5-dimethyl-4-phenyl-1-propan-2-ylpiperidin-1-ium-4-ol
CID 7208630
(2R,4S,5R)-2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)-4-phenylpiperidin-1-ium-4-ol
CID 7068889
(1R,2S,5R)-2,5-dimethyl-1-phenylcyclohexan-1-ol
CID 124672757
(2S,4R,5S)-2,5-dimethyl-4-phenylpiperidin-4-ol
CID 100815418
trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol
CID 124681224
(2R,4S,5S)-1-ethyl-2,5-dimethyl-4-phenylpiperidin-4-ol
CID 7079870
2-methyl-1-(4-propan-2-ylphenyl)cyclopropan-1-ol
CID 79332541
cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol
CID 12611391
2-methyl-1-phenyl-3-phenylmethoxycyclobutan-1-ol
CID 172787553
3-methyl-4-phenyl-1-propan-2-ylpiperidin-4-ol
CID 134380041
1-(3-fluorophenyl)-2-methylcyclopropan-1-ol
CID 79333941
cis-(1R,2R)-1,2-diphenylcyclopropan-1-ol
CID 165358316

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-1-ium-4-ol?
The IUPAC name of (2S,4R,5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-1-ium-4-ol (CID 6983209) is (2S,4R,5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-1-ium-4-ol.
What is the SMILES notation for (2S,4R,5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-1-ium-4-ol?
The canonical SMILES for (2S,4R,5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-1-ium-4-ol is CC(C)C[NH+]1C[C@H](C)[C@@](O)(c2ccccc2)C[C@@H]1C.
What is the InChIKey of (2S,4R,5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-1-ium-4-ol?
The InChIKey is XQQQNSXVHJHKJP-YQQAZPJKSA-O. The full InChI is InChI=1S/C17H27NO/c1-13(2)11-18-12-14(3)17(19,10-15(18)4)16-8-6-5-7-9-16/h5-9,13-15,19H,10-12H2,1-4H3/p+1/t14-,15-,17+/m0/s1.
What are the key properties of (2S,4R,5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-1-ium-4-ol?
(2S,4R,5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-1-ium-4-ol has a molecular weight of 262.42 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5S)-2,5-dimethyl-1-(2-methylpropyl)-4-phenylpiperidin-1-ium-4-ol is sourced from PubChem (CID 6983209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).