(2S,3R,6R)-1,2-dimethyl-6-(9-phenylnonyl)piperidin-3-ol

C22H37NO — CID 162929732

IUPAC(2S,3R,6R)-1,2-dimethyl-6-(9-phenylnonyl)piperidin-3-ol
SMILESC[C@H]1[C@H](O)CC[C@@H](CCCCCCCCCc2ccccc2)N1C
InChIInChI=1S/C22H37NO/c1-19-22(24)18-17-21(23(19)2)16-12-7-5-3-4-6-9-13-20-14-10-8-11-15-20/h8,10-11,14-15,19,21-22,24H,3-7,9,12-13,16-18H2,1-2H3/t19-,21+,22+/m0/s1
InChIKeyAQJLJGBKBDODCH-KSEOMHKRSA-N
MW331.54 g/mol
LogP5.19
Rot. Bonds10

About (2S,3R,6R)-1,2-dimethyl-6-(9-phenylnonyl)piperidin-3-ol

(2S,3R,6R)-1,2-dimethyl-6-(9-phenylnonyl)piperidin-3-ol (PubChem CID 162929732) has the molecular formula C22H37NO and a molecular weight of 331.54 g/mol. Its IUPAC name is (2S,3R,6R)-1,2-dimethyl-6-(9-phenylnonyl)piperidin-3-ol.

Molecular Properties

Compound Name(2S,3R,6R)-1,2-dimethyl-6-(9-phenylnonyl)piperidin-3-ol
PubChem CID162929732
Molecular FormulaC22H37NO
Molecular Weight331.54 g/mol
Exact Mass331.29
IUPAC Name(2S,3R,6R)-1,2-dimethyl-6-(9-phenylnonyl)piperidin-3-ol
SMILESC[C@H]1[C@H](O)CC[C@@H](CCCCCCCCCc2ccccc2)N1C
InChIInChI=1S/C22H37NO/c1-19-22(24)18-17-21(23(19)2)16-12-7-5-3-4-6-9-13-20-14-10-8-11-15-20/h8,10-11,14-15,19,21-22,24H,3-7,9,12-13,16-18H2,1-2H3/t19-,21+,22+/m0/s1
InChIKeyAQJLJGBKBDODCH-KSEOMHKRSA-N
XLogP5.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.54
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 5662
Betamethadol
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Vesamicol hydrochloride
CID 212231
(1S,2S)-2-(4-Phenyl-1-piperidinyl)cyclohexanol
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Alphamethadol hydrochloride, (-)-
CID 3041255
Etafedrine
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2-Ethylmethylamino-1-phenylpropan-1-ol
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Piperidinium, 1-(3-hydroxy-5-methyl-4-phenylhexyl)-1-methyl-, bromide (1:1)
CID 10619
Alphamethadol hydrochloride, (+)-
CID 206311

Frequently Asked Questions

What is the IUPAC name of (2S,3R,6R)-1,2-dimethyl-6-(9-phenylnonyl)piperidin-3-ol?
The IUPAC name of (2S,3R,6R)-1,2-dimethyl-6-(9-phenylnonyl)piperidin-3-ol (CID 162929732) is (2S,3R,6R)-1,2-dimethyl-6-(9-phenylnonyl)piperidin-3-ol.
What is the SMILES notation for (2S,3R,6R)-1,2-dimethyl-6-(9-phenylnonyl)piperidin-3-ol?
The canonical SMILES for (2S,3R,6R)-1,2-dimethyl-6-(9-phenylnonyl)piperidin-3-ol is C[C@H]1[C@H](O)CC[C@@H](CCCCCCCCCc2ccccc2)N1C.
What is the InChIKey of (2S,3R,6R)-1,2-dimethyl-6-(9-phenylnonyl)piperidin-3-ol?
The InChIKey is AQJLJGBKBDODCH-KSEOMHKRSA-N. The full InChI is InChI=1S/C22H37NO/c1-19-22(24)18-17-21(23(19)2)16-12-7-5-3-4-6-9-13-20-14-10-8-11-15-20/h8,10-11,14-15,19,21-22,24H,3-7,9,12-13,16-18H2,1-2H3/t19-,21+,22+/m0/s1.
What are the key properties of (2S,3R,6R)-1,2-dimethyl-6-(9-phenylnonyl)piperidin-3-ol?
(2S,3R,6R)-1,2-dimethyl-6-(9-phenylnonyl)piperidin-3-ol has a molecular weight of 331.54 g/mol, XLogP of 5.19, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6R)-1,2-dimethyl-6-(9-phenylnonyl)piperidin-3-ol is sourced from PubChem (CID 162929732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).