(1S)-2-[(2S,6R)-1-methyl-6-(2-phenylethyl)piperidin-2-yl]-1-phenylethanol

C22H29NO — CID 10782199

IUPAC(1S)-2-[(2S,6R)-1-methyl-6-(2-phenylethyl)piperidin-2-yl]-1-phenylethanol
SMILESCN1[C@@H](CCc2ccccc2)CCC[C@H]1C[C@H](O)c1ccccc1
InChIInChI=1S/C22H29NO/c1-23-20(16-15-18-9-4-2-5-10-18)13-8-14-21(23)17-22(24)19-11-6-3-7-12-19/h2-7,9-12,20-22,24H,8,13-17H2,1H3/t20-,21+,22+/m1/s1
InChIKeyMUSFCRGEWKAWEE-FSSWDIPSSA-N
MW323.48 g/mol
LogP4.60
Rot. Bonds6

About (1S)-2-[(2S,6R)-1-methyl-6-(2-phenylethyl)piperidin-2-yl]-1-phenylethanol

(1S)-2-[(2S,6R)-1-methyl-6-(2-phenylethyl)piperidin-2-yl]-1-phenylethanol (PubChem CID 10782199) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is (1S)-2-[(2S,6R)-1-methyl-6-(2-phenylethyl)piperidin-2-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[(2S,6R)-1-methyl-6-(2-phenylethyl)piperidin-2-yl]-1-phenylethanol
PubChem CID10782199
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name(1S)-2-[(2S,6R)-1-methyl-6-(2-phenylethyl)piperidin-2-yl]-1-phenylethanol
SMILESCN1[C@@H](CCc2ccccc2)CCC[C@H]1C[C@H](O)c1ccccc1
InChIInChI=1S/C22H29NO/c1-23-20(16-15-18-9-4-2-5-10-18)13-8-14-21(23)17-22(24)19-11-6-3-7-12-19/h2-7,9-12,20-22,24H,8,13-17H2,1H3/t20-,21+,22+/m1/s1
InChIKeyMUSFCRGEWKAWEE-FSSWDIPSSA-N
XLogP4.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(2S,6R)-1-methyl-6-(2-phenylethyl)piperidin-2-yl]-1-phenylethanol?
The IUPAC name of (1S)-2-[(2S,6R)-1-methyl-6-(2-phenylethyl)piperidin-2-yl]-1-phenylethanol (CID 10782199) is (1S)-2-[(2S,6R)-1-methyl-6-(2-phenylethyl)piperidin-2-yl]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[(2S,6R)-1-methyl-6-(2-phenylethyl)piperidin-2-yl]-1-phenylethanol?
The canonical SMILES for (1S)-2-[(2S,6R)-1-methyl-6-(2-phenylethyl)piperidin-2-yl]-1-phenylethanol is CN1[C@@H](CCc2ccccc2)CCC[C@H]1C[C@H](O)c1ccccc1.
What is the InChIKey of (1S)-2-[(2S,6R)-1-methyl-6-(2-phenylethyl)piperidin-2-yl]-1-phenylethanol?
The InChIKey is MUSFCRGEWKAWEE-FSSWDIPSSA-N. The full InChI is InChI=1S/C22H29NO/c1-23-20(16-15-18-9-4-2-5-10-18)13-8-14-21(23)17-22(24)19-11-6-3-7-12-19/h2-7,9-12,20-22,24H,8,13-17H2,1H3/t20-,21+,22+/m1/s1.
What are the key properties of (1S)-2-[(2S,6R)-1-methyl-6-(2-phenylethyl)piperidin-2-yl]-1-phenylethanol?
(1S)-2-[(2S,6R)-1-methyl-6-(2-phenylethyl)piperidin-2-yl]-1-phenylethanol has a molecular weight of 323.48 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(2S,6R)-1-methyl-6-(2-phenylethyl)piperidin-2-yl]-1-phenylethanol is sourced from PubChem (CID 10782199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).