(3S,4R,6S)-1,3,4-trimethyl-6-phenylpiperidine-3,4-diol

C14H21NO2 — CID 3069444

IUPAC(3S,4R,6S)-1,3,4-trimethyl-6-phenylpiperidine-3,4-diol
SMILESCN1C[C@](C)(O)[C@](C)(O)C[C@H]1c1ccccc1
InChIInChI=1S/C14H21NO2/c1-13(16)9-12(11-7-5-4-6-8-11)15(3)10-14(13,2)17/h4-8,12,16-17H,9-10H2,1-3H3/t12-,13+,14-/m0/s1
InChIKeyZHQCINFMVJHYIV-MJBXVCDLSA-N
MW235.33 g/mol
LogP1.57
Rot. Bonds1

About (3S,4R,6S)-1,3,4-trimethyl-6-phenylpiperidine-3,4-diol

(3S,4R,6S)-1,3,4-trimethyl-6-phenylpiperidine-3,4-diol (PubChem CID 3069444) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (3S,4R,6S)-1,3,4-trimethyl-6-phenylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R,6S)-1,3,4-trimethyl-6-phenylpiperidine-3,4-diol
PubChem CID3069444
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(3S,4R,6S)-1,3,4-trimethyl-6-phenylpiperidine-3,4-diol
SMILESCN1C[C@](C)(O)[C@](C)(O)C[C@H]1c1ccccc1
InChIInChI=1S/C14H21NO2/c1-13(16)9-12(11-7-5-4-6-8-11)15(3)10-14(13,2)17/h4-8,12,16-17H,9-10H2,1-3H3/t12-,13+,14-/m0/s1
InChIKeyZHQCINFMVJHYIV-MJBXVCDLSA-N
XLogP1.57
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,6S)-1,3,4-trimethyl-6-phenylpiperidine-3,4-diol?
The IUPAC name of (3S,4R,6S)-1,3,4-trimethyl-6-phenylpiperidine-3,4-diol (CID 3069444) is (3S,4R,6S)-1,3,4-trimethyl-6-phenylpiperidine-3,4-diol.
What is the SMILES notation for (3S,4R,6S)-1,3,4-trimethyl-6-phenylpiperidine-3,4-diol?
The canonical SMILES for (3S,4R,6S)-1,3,4-trimethyl-6-phenylpiperidine-3,4-diol is CN1C[C@](C)(O)[C@](C)(O)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R,6S)-1,3,4-trimethyl-6-phenylpiperidine-3,4-diol?
The InChIKey is ZHQCINFMVJHYIV-MJBXVCDLSA-N. The full InChI is InChI=1S/C14H21NO2/c1-13(16)9-12(11-7-5-4-6-8-11)15(3)10-14(13,2)17/h4-8,12,16-17H,9-10H2,1-3H3/t12-,13+,14-/m0/s1.
What are the key properties of (3S,4R,6S)-1,3,4-trimethyl-6-phenylpiperidine-3,4-diol?
(3S,4R,6S)-1,3,4-trimethyl-6-phenylpiperidine-3,4-diol has a molecular weight of 235.33 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,6S)-1,3,4-trimethyl-6-phenylpiperidine-3,4-diol is sourced from PubChem (CID 3069444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).