(2S,3S,4R,6S)-1-methyl-2,4,6-triphenyl-3-propan-2-ylpiperidin-4-ol

C27H31NO — CID 7451838

IUPAC(2S,3S,4R,6S)-1-methyl-2,4,6-triphenyl-3-propan-2-ylpiperidin-4-ol
SMILESCC(C)[C@H]1[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1
InChIInChI=1S/C27H31NO/c1-20(2)25-26(22-15-9-5-10-16-22)28(3)24(21-13-7-4-8-14-21)19-27(25,29)23-17-11-6-12-18-23/h4-18,20,24-26,29H,19H2,1-3H3/t24-,25-,26+,27-/m0/s1
InChIKeyXANBEVHQLOSTKB-NFGXINMFSA-N
MW385.55 g/mol
LogP5.96
Rot. Bonds4

About (2S,3S,4R,6S)-1-methyl-2,4,6-triphenyl-3-propan-2-ylpiperidin-4-ol

(2S,3S,4R,6S)-1-methyl-2,4,6-triphenyl-3-propan-2-ylpiperidin-4-ol (PubChem CID 7451838) has the molecular formula C27H31NO and a molecular weight of 385.55 g/mol. Its IUPAC name is (2S,3S,4R,6S)-1-methyl-2,4,6-triphenyl-3-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name(2S,3S,4R,6S)-1-methyl-2,4,6-triphenyl-3-propan-2-ylpiperidin-4-ol
PubChem CID7451838
Molecular FormulaC27H31NO
Molecular Weight385.55 g/mol
Exact Mass385.24
IUPAC Name(2S,3S,4R,6S)-1-methyl-2,4,6-triphenyl-3-propan-2-ylpiperidin-4-ol
SMILESCC(C)[C@H]1[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1
InChIInChI=1S/C27H31NO/c1-20(2)25-26(22-15-9-5-10-16-22)28(3)24(21-13-7-4-8-14-21)19-27(25,29)23-17-11-6-12-18-23/h4-18,20,24-26,29H,19H2,1-3H3/t24-,25-,26+,27-/m0/s1
InChIKeyXANBEVHQLOSTKB-NFGXINMFSA-N
XLogP5.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,3S,4R,6S)-1-methyl-2,4,6-triphenyl-3-propan-2-ylpiperidin-4-ol with MolForge

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Related Compounds

(2R,3R,4R,6S)-1-methyl-3-pentyl-2,4,6-triphenylpiperidin-4-ol
CID 51411847
(2S,3S,4R,6S)-1,3-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol
CID 11904896
(1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol
CID 95931344
(2S,6S)-4-ethynyl-1-methyl-2,6-diphenylpiperidin-4-ol
CID 95906179
cis-(1R,2R)-1,2-diphenylcyclopropan-1-ol
CID 165358316
1,3-dimethyl-2,6-diphenylpiperidin-4-ol
CID 2729803
(2R,3S,4S,6S)-1,3-dimethyl-2,6-diphenylpiperidin-4-ol
CID 6541757
1,2,3,4,5-pentakis-phenylcyclohexan-1-ol
CID 141127283
(1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol
CID 102394806
(1R,2R,4S,5S,6S,8R)-3-methyl-2,4,6,8-tetraphenyl-3-azabicyclo[3.3.1]nonan-9-one
CID 98127168
(2S,3S,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propan-2-ylpiperidin-4-ol
CID 7112212
(2R,3R)-2,3-diphenyl-1-propan-2-ylazetidine
CID 100941434

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,6S)-1-methyl-2,4,6-triphenyl-3-propan-2-ylpiperidin-4-ol?
The IUPAC name of (2S,3S,4R,6S)-1-methyl-2,4,6-triphenyl-3-propan-2-ylpiperidin-4-ol (CID 7451838) is (2S,3S,4R,6S)-1-methyl-2,4,6-triphenyl-3-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for (2S,3S,4R,6S)-1-methyl-2,4,6-triphenyl-3-propan-2-ylpiperidin-4-ol?
The canonical SMILES for (2S,3S,4R,6S)-1-methyl-2,4,6-triphenyl-3-propan-2-ylpiperidin-4-ol is CC(C)[C@H]1[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1.
What is the InChIKey of (2S,3S,4R,6S)-1-methyl-2,4,6-triphenyl-3-propan-2-ylpiperidin-4-ol?
The InChIKey is XANBEVHQLOSTKB-NFGXINMFSA-N. The full InChI is InChI=1S/C27H31NO/c1-20(2)25-26(22-15-9-5-10-16-22)28(3)24(21-13-7-4-8-14-21)19-27(25,29)23-17-11-6-12-18-23/h4-18,20,24-26,29H,19H2,1-3H3/t24-,25-,26+,27-/m0/s1.
What are the key properties of (2S,3S,4R,6S)-1-methyl-2,4,6-triphenyl-3-propan-2-ylpiperidin-4-ol?
(2S,3S,4R,6S)-1-methyl-2,4,6-triphenyl-3-propan-2-ylpiperidin-4-ol has a molecular weight of 385.55 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,6S)-1-methyl-2,4,6-triphenyl-3-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 7451838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).