(2R,4S,5S)-2,5-dimethyl-4-phenyl-1-propan-2-ylpiperidin-1-ium-4-ol

C16H26NO+ — CID 7208630

IUPAC(2R,4S,5S)-2,5-dimethyl-4-phenyl-1-propan-2-ylpiperidin-1-ium-4-ol
SMILESCC(C)[NH+]1C[C@H](C)[C@](O)(c2ccccc2)C[C@H]1C
InChIInChI=1S/C16H25NO/c1-12(2)17-11-13(3)16(18,10-14(17)4)15-8-6-5-7-9-15/h5-9,12-14,18H,10-11H2,1-4H3/p+1/t13-,14+,16-/m0/s1
InChIKeySIPPYVOQXDDGOR-LZWOXQAQSA-O
MW248.39 g/mol
LogP1.60
Rot. Bonds2

About (2R,4S,5S)-2,5-dimethyl-4-phenyl-1-propan-2-ylpiperidin-1-ium-4-ol

(2R,4S,5S)-2,5-dimethyl-4-phenyl-1-propan-2-ylpiperidin-1-ium-4-ol (PubChem CID 7208630) has the molecular formula C16H26NO+ and a molecular weight of 248.39 g/mol. Its IUPAC name is (2R,4S,5S)-2,5-dimethyl-4-phenyl-1-propan-2-ylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name(2R,4S,5S)-2,5-dimethyl-4-phenyl-1-propan-2-ylpiperidin-1-ium-4-ol
PubChem CID7208630
Molecular FormulaC16H26NO+
Molecular Weight248.39 g/mol
Exact Mass248.20
IUPAC Name(2R,4S,5S)-2,5-dimethyl-4-phenyl-1-propan-2-ylpiperidin-1-ium-4-ol
SMILESCC(C)[NH+]1C[C@H](C)[C@](O)(c2ccccc2)C[C@H]1C
InChIInChI=1S/C16H25NO/c1-12(2)17-11-13(3)16(18,10-14(17)4)15-8-6-5-7-9-15/h5-9,12-14,18H,10-11H2,1-4H3/p+1/t13-,14+,16-/m0/s1
InChIKeySIPPYVOQXDDGOR-LZWOXQAQSA-O
XLogP1.60
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (2R,4S,5S)-2,5-dimethyl-4-phenyl-1-propan-2-ylpiperidin-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

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-2,5-dimethyl-4-phenyl-1-propan-2-ylpiperidin-1-ium-4-ol?
The IUPAC name of (2R,4S,5S)-2,5-dimethyl-4-phenyl-1-propan-2-ylpiperidin-1-ium-4-ol (CID 7208630) is (2R,4S,5S)-2,5-dimethyl-4-phenyl-1-propan-2-ylpiperidin-1-ium-4-ol.
What is the SMILES notation for (2R,4S,5S)-2,5-dimethyl-4-phenyl-1-propan-2-ylpiperidin-1-ium-4-ol?
The canonical SMILES for (2R,4S,5S)-2,5-dimethyl-4-phenyl-1-propan-2-ylpiperidin-1-ium-4-ol is CC(C)[NH+]1C[C@H](C)[C@](O)(c2ccccc2)C[C@H]1C.
What is the InChIKey of (2R,4S,5S)-2,5-dimethyl-4-phenyl-1-propan-2-ylpiperidin-1-ium-4-ol?
The InChIKey is SIPPYVOQXDDGOR-LZWOXQAQSA-O. The full InChI is InChI=1S/C16H25NO/c1-12(2)17-11-13(3)16(18,10-14(17)4)15-8-6-5-7-9-15/h5-9,12-14,18H,10-11H2,1-4H3/p+1/t13-,14+,16-/m0/s1.
What are the key properties of (2R,4S,5S)-2,5-dimethyl-4-phenyl-1-propan-2-ylpiperidin-1-ium-4-ol?
(2R,4S,5S)-2,5-dimethyl-4-phenyl-1-propan-2-ylpiperidin-1-ium-4-ol has a molecular weight of 248.39 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-2,5-dimethyl-4-phenyl-1-propan-2-ylpiperidin-1-ium-4-ol is sourced from PubChem (CID 7208630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).