(2R,3R,4R,6S)-1-methyl-3-pentyl-2,4,6-triphenylpiperidin-4-ol

C29H35NO — CID 51411847

IUPAC(2R,3R,4R,6S)-1-methyl-3-pentyl-2,4,6-triphenylpiperidin-4-ol
SMILESCCCCC[C@@H]1C(c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1
InChIInChI=1S/C29H35NO/c1-3-4-8-21-26-28(24-17-11-6-12-18-24)30(2)27(23-15-9-5-10-16-23)22-29(26,31)25-19-13-7-14-20-25/h5-7,9-20,26-28,31H,3-4,8,21-22H2,1-2H3/t26-,27+,28?,29+/m1/s1
InChIKeyPDXVYZCYGBPUAD-PZZOVLDTSA-N
MW413.61 g/mol
LogP6.89
Rot. Bonds7

About (2R,3R,4R,6S)-1-methyl-3-pentyl-2,4,6-triphenylpiperidin-4-ol

(2R,3R,4R,6S)-1-methyl-3-pentyl-2,4,6-triphenylpiperidin-4-ol (PubChem CID 51411847) has the molecular formula C29H35NO and a molecular weight of 413.61 g/mol. Its IUPAC name is (2R,3R,4R,6S)-1-methyl-3-pentyl-2,4,6-triphenylpiperidin-4-ol.

Molecular Properties

Compound Name(2R,3R,4R,6S)-1-methyl-3-pentyl-2,4,6-triphenylpiperidin-4-ol
PubChem CID51411847
Molecular FormulaC29H35NO
Molecular Weight413.61 g/mol
Exact Mass413.27
IUPAC Name(2R,3R,4R,6S)-1-methyl-3-pentyl-2,4,6-triphenylpiperidin-4-ol
SMILESCCCCC[C@@H]1C(c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1
InChIInChI=1S/C29H35NO/c1-3-4-8-21-26-28(24-17-11-6-12-18-24)30(2)27(23-15-9-5-10-16-23)22-29(26,31)25-19-13-7-14-20-25/h5-7,9-20,26-28,31H,3-4,8,21-22H2,1-2H3/t26-,27+,28?,29+/m1/s1
InChIKeyPDXVYZCYGBPUAD-PZZOVLDTSA-N
XLogP6.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.61
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,3R,4R,6S)-1-methyl-3-pentyl-2,4,6-triphenylpiperidin-4-ol with MolForge

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Related Compounds

(2S,3S,4R,6S)-1-methyl-2,4,6-triphenyl-3-propan-2-ylpiperidin-4-ol
CID 7451838
(2S,3S,4R,6S)-1,3-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol
CID 11904896
(NE)-N-[(2S,3R,6R)-1-methyl-3-pentyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
CID 98645698
2-pentadecyl-1-phenylcyclobutan-1-ol
CID 66721936
3-hexyl-1-phenylcyclobutan-1-ol
CID 10585684
(2S,3R,4R,6S)-4-butyl-1-methyl-3-pentyl-2,6-diphenylpiperidin-1-ium-4-ol
CID 7329365
1-methyl-2,6-diphenyl-3-propylpiperidin-4-ol;hydrochloride
CID 44661232
(2R,3R,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propylpiperidin-4-ol
CID 124823280
trans-(1S,2S)-1-butyl-2-phenylcyclopropan-1-ol
CID 101173351
(2R,3S)-1-butyl-2-methyl-3-phenylpyrrolidin-3-ol
CID 125492661
(2S,6S)-4-ethynyl-1-methyl-2,6-diphenylpiperidin-4-ol
CID 95906179
(2S,3S)-1-butyl-2,3-diphenylaziridine
CID 102330733

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,6S)-1-methyl-3-pentyl-2,4,6-triphenylpiperidin-4-ol?
The IUPAC name of (2R,3R,4R,6S)-1-methyl-3-pentyl-2,4,6-triphenylpiperidin-4-ol (CID 51411847) is (2R,3R,4R,6S)-1-methyl-3-pentyl-2,4,6-triphenylpiperidin-4-ol.
What is the SMILES notation for (2R,3R,4R,6S)-1-methyl-3-pentyl-2,4,6-triphenylpiperidin-4-ol?
The canonical SMILES for (2R,3R,4R,6S)-1-methyl-3-pentyl-2,4,6-triphenylpiperidin-4-ol is CCCCC[C@@H]1C(c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1.
What is the InChIKey of (2R,3R,4R,6S)-1-methyl-3-pentyl-2,4,6-triphenylpiperidin-4-ol?
The InChIKey is PDXVYZCYGBPUAD-PZZOVLDTSA-N. The full InChI is InChI=1S/C29H35NO/c1-3-4-8-21-26-28(24-17-11-6-12-18-24)30(2)27(23-15-9-5-10-16-23)22-29(26,31)25-19-13-7-14-20-25/h5-7,9-20,26-28,31H,3-4,8,21-22H2,1-2H3/t26-,27+,28?,29+/m1/s1.
What are the key properties of (2R,3R,4R,6S)-1-methyl-3-pentyl-2,4,6-triphenylpiperidin-4-ol?
(2R,3R,4R,6S)-1-methyl-3-pentyl-2,4,6-triphenylpiperidin-4-ol has a molecular weight of 413.61 g/mol, XLogP of 6.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,6S)-1-methyl-3-pentyl-2,4,6-triphenylpiperidin-4-ol is sourced from PubChem (CID 51411847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).