(2R,4S)-1-methyl-2-phenylpiperidin-4-ol

C12H17NO — CID 71409526

IUPAC(2R,4S)-1-methyl-2-phenylpiperidin-4-ol
SMILESCN1CC[C@H](O)C[C@@H]1c1ccccc1
InChIInChI=1S/C12H17NO/c1-13-8-7-11(14)9-12(13)10-5-3-2-4-6-10/h2-6,11-12,14H,7-9H2,1H3/t11-,12+/m0/s1
InChIKeyWICKFZPVMBNZOZ-NWDGAFQWSA-N
MW191.27 g/mol
LogP1.81
Rot. Bonds1

About (2R,4S)-1-methyl-2-phenylpiperidin-4-ol

(2R,4S)-1-methyl-2-phenylpiperidin-4-ol (PubChem CID 71409526) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2R,4S)-1-methyl-2-phenylpiperidin-4-ol.

Molecular Properties

Compound Name(2R,4S)-1-methyl-2-phenylpiperidin-4-ol
PubChem CID71409526
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2R,4S)-1-methyl-2-phenylpiperidin-4-ol
SMILESCN1CC[C@H](O)C[C@@H]1c1ccccc1
InChIInChI=1S/C12H17NO/c1-13-8-7-11(14)9-12(13)10-5-3-2-4-6-10/h2-6,11-12,14H,7-9H2,1H3/t11-,12+/m0/s1
InChIKeyWICKFZPVMBNZOZ-NWDGAFQWSA-N
XLogP1.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-methyl-2-phenylpiperidin-4-ol?
The IUPAC name of (2R,4S)-1-methyl-2-phenylpiperidin-4-ol (CID 71409526) is (2R,4S)-1-methyl-2-phenylpiperidin-4-ol.
What is the SMILES notation for (2R,4S)-1-methyl-2-phenylpiperidin-4-ol?
The canonical SMILES for (2R,4S)-1-methyl-2-phenylpiperidin-4-ol is CN1CC[C@H](O)C[C@@H]1c1ccccc1.
What is the InChIKey of (2R,4S)-1-methyl-2-phenylpiperidin-4-ol?
The InChIKey is WICKFZPVMBNZOZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H17NO/c1-13-8-7-11(14)9-12(13)10-5-3-2-4-6-10/h2-6,11-12,14H,7-9H2,1H3/t11-,12+/m0/s1.
What are the key properties of (2R,4S)-1-methyl-2-phenylpiperidin-4-ol?
(2R,4S)-1-methyl-2-phenylpiperidin-4-ol has a molecular weight of 191.27 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-methyl-2-phenylpiperidin-4-ol is sourced from PubChem (CID 71409526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).