(2R,3R,6S)-2-methyl-6-(9-phenylnonyl)piperidin-3-ol

C21H35NO — CID 10925178

IUPAC(2R,3R,6S)-2-methyl-6-(9-phenylnonyl)piperidin-3-ol
SMILESC[C@H]1N[C@@H](CCCCCCCCCc2ccccc2)CC[C@H]1O
InChIInChI=1S/C21H35NO/c1-18-21(23)17-16-20(22-18)15-11-6-4-2-3-5-8-12-19-13-9-7-10-14-19/h7,9-10,13-14,18,20-23H,2-6,8,11-12,15-17H2,1H3/t18-,20+,21-/m1/s1
InChIKeyXFSGJROMOFEUFI-HLAWJBBLSA-N
MW317.52 g/mol
LogP4.85
Rot. Bonds10

About (2R,3R,6S)-2-methyl-6-(9-phenylnonyl)piperidin-3-ol

(2R,3R,6S)-2-methyl-6-(9-phenylnonyl)piperidin-3-ol (PubChem CID 10925178) has the molecular formula C21H35NO and a molecular weight of 317.52 g/mol. Its IUPAC name is (2R,3R,6S)-2-methyl-6-(9-phenylnonyl)piperidin-3-ol.

Molecular Properties

Compound Name(2R,3R,6S)-2-methyl-6-(9-phenylnonyl)piperidin-3-ol
PubChem CID10925178
Molecular FormulaC21H35NO
Molecular Weight317.52 g/mol
Exact Mass317.27
IUPAC Name(2R,3R,6S)-2-methyl-6-(9-phenylnonyl)piperidin-3-ol
SMILESC[C@H]1N[C@@H](CCCCCCCCCc2ccccc2)CC[C@H]1O
InChIInChI=1S/C21H35NO/c1-18-21(23)17-16-20(22-18)15-11-6-4-2-3-5-8-12-19-13-9-7-10-14-19/h7,9-10,13-14,18,20-23H,2-6,8,11-12,15-17H2,1H3/t18-,20+,21-/m1/s1
InChIKeyXFSGJROMOFEUFI-HLAWJBBLSA-N
XLogP4.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.52
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,6S)-2-methyl-6-(9-phenylnonyl)piperidin-3-ol?
The IUPAC name of (2R,3R,6S)-2-methyl-6-(9-phenylnonyl)piperidin-3-ol (CID 10925178) is (2R,3R,6S)-2-methyl-6-(9-phenylnonyl)piperidin-3-ol.
What is the SMILES notation for (2R,3R,6S)-2-methyl-6-(9-phenylnonyl)piperidin-3-ol?
The canonical SMILES for (2R,3R,6S)-2-methyl-6-(9-phenylnonyl)piperidin-3-ol is C[C@H]1N[C@@H](CCCCCCCCCc2ccccc2)CC[C@H]1O.
What is the InChIKey of (2R,3R,6S)-2-methyl-6-(9-phenylnonyl)piperidin-3-ol?
The InChIKey is XFSGJROMOFEUFI-HLAWJBBLSA-N. The full InChI is InChI=1S/C21H35NO/c1-18-21(23)17-16-20(22-18)15-11-6-4-2-3-5-8-12-19-13-9-7-10-14-19/h7,9-10,13-14,18,20-23H,2-6,8,11-12,15-17H2,1H3/t18-,20+,21-/m1/s1.
What are the key properties of (2R,3R,6S)-2-methyl-6-(9-phenylnonyl)piperidin-3-ol?
(2R,3R,6S)-2-methyl-6-(9-phenylnonyl)piperidin-3-ol has a molecular weight of 317.52 g/mol, XLogP of 4.85, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6S)-2-methyl-6-(9-phenylnonyl)piperidin-3-ol is sourced from PubChem (CID 10925178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).