(3S,4S,6S)-6-(2,4-dimethylphenyl)-1,3-dimethylpiperidine-3,4-diol

C15H23NO2 — CID 14640577

IUPAC(3S,4S,6S)-6-(2,4-dimethylphenyl)-1,3-dimethylpiperidine-3,4-diol
SMILESCc1ccc([C@@H]2C[C@H](O)[C@@](C)(O)CN2C)c(C)c1
InChIInChI=1S/C15H23NO2/c1-10-5-6-12(11(2)7-10)13-8-14(17)15(3,18)9-16(13)4/h5-7,13-14,17-18H,8-9H2,1-4H3/t13-,14-,15-/m0/s1
InChIKeyBXHUHAQDRAWEPJ-KKUMJFAQSA-N
MW249.35 g/mol
LogP1.79
Rot. Bonds1

About (3S,4S,6S)-6-(2,4-dimethylphenyl)-1,3-dimethylpiperidine-3,4-diol

(3S,4S,6S)-6-(2,4-dimethylphenyl)-1,3-dimethylpiperidine-3,4-diol (PubChem CID 14640577) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (3S,4S,6S)-6-(2,4-dimethylphenyl)-1,3-dimethylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S,6S)-6-(2,4-dimethylphenyl)-1,3-dimethylpiperidine-3,4-diol
PubChem CID14640577
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(3S,4S,6S)-6-(2,4-dimethylphenyl)-1,3-dimethylpiperidine-3,4-diol
SMILESCc1ccc([C@@H]2C[C@H](O)[C@@](C)(O)CN2C)c(C)c1
InChIInChI=1S/C15H23NO2/c1-10-5-6-12(11(2)7-10)13-8-14(17)15(3,18)9-16(13)4/h5-7,13-14,17-18H,8-9H2,1-4H3/t13-,14-,15-/m0/s1
InChIKeyBXHUHAQDRAWEPJ-KKUMJFAQSA-N
XLogP1.79
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,6S)-6-(2,4-dimethylphenyl)-1,3-dimethylpiperidine-3,4-diol?
The IUPAC name of (3S,4S,6S)-6-(2,4-dimethylphenyl)-1,3-dimethylpiperidine-3,4-diol (CID 14640577) is (3S,4S,6S)-6-(2,4-dimethylphenyl)-1,3-dimethylpiperidine-3,4-diol.
What is the SMILES notation for (3S,4S,6S)-6-(2,4-dimethylphenyl)-1,3-dimethylpiperidine-3,4-diol?
The canonical SMILES for (3S,4S,6S)-6-(2,4-dimethylphenyl)-1,3-dimethylpiperidine-3,4-diol is Cc1ccc([C@@H]2C[C@H](O)[C@@](C)(O)CN2C)c(C)c1.
What is the InChIKey of (3S,4S,6S)-6-(2,4-dimethylphenyl)-1,3-dimethylpiperidine-3,4-diol?
The InChIKey is BXHUHAQDRAWEPJ-KKUMJFAQSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-5-6-12(11(2)7-10)13-8-14(17)15(3,18)9-16(13)4/h5-7,13-14,17-18H,8-9H2,1-4H3/t13-,14-,15-/m0/s1.
What are the key properties of (3S,4S,6S)-6-(2,4-dimethylphenyl)-1,3-dimethylpiperidine-3,4-diol?
(3S,4S,6S)-6-(2,4-dimethylphenyl)-1,3-dimethylpiperidine-3,4-diol has a molecular weight of 249.35 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,6S)-6-(2,4-dimethylphenyl)-1,3-dimethylpiperidine-3,4-diol is sourced from PubChem (CID 14640577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).