[(3S,5S)-5-methyl-1-phenylpiperidin-3-yl]methanol

C13H19NO — CID 134906133

IUPAC[(3S,5S)-5-methyl-1-phenylpiperidin-3-yl]methanol
SMILESC[C@H]1C[C@H](CO)CN(c2ccccc2)C1
InChIInChI=1S/C13H19NO/c1-11-7-12(10-15)9-14(8-11)13-5-3-2-4-6-13/h2-6,11-12,15H,7-10H2,1H3/t11-,12-/m0/s1
InChIKeyVUYJJLXKFWQIEV-RYUDHWBXSA-N
MW205.30 g/mol
LogP2.14
Rot. Bonds2

About [(3S,5S)-5-methyl-1-phenylpiperidin-3-yl]methanol

[(3S,5S)-5-methyl-1-phenylpiperidin-3-yl]methanol (PubChem CID 134906133) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [(3S,5S)-5-methyl-1-phenylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,5S)-5-methyl-1-phenylpiperidin-3-yl]methanol
PubChem CID134906133
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[(3S,5S)-5-methyl-1-phenylpiperidin-3-yl]methanol
SMILESC[C@H]1C[C@H](CO)CN(c2ccccc2)C1
InChIInChI=1S/C13H19NO/c1-11-7-12(10-15)9-14(8-11)13-5-3-2-4-6-13/h2-6,11-12,15H,7-10H2,1H3/t11-,12-/m0/s1
InChIKeyVUYJJLXKFWQIEV-RYUDHWBXSA-N
XLogP2.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-5-methyl-1-phenylpiperidin-3-yl]methanol?
The IUPAC name of [(3S,5S)-5-methyl-1-phenylpiperidin-3-yl]methanol (CID 134906133) is [(3S,5S)-5-methyl-1-phenylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S,5S)-5-methyl-1-phenylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S,5S)-5-methyl-1-phenylpiperidin-3-yl]methanol is C[C@H]1C[C@H](CO)CN(c2ccccc2)C1.
What is the InChIKey of [(3S,5S)-5-methyl-1-phenylpiperidin-3-yl]methanol?
The InChIKey is VUYJJLXKFWQIEV-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-7-12(10-15)9-14(8-11)13-5-3-2-4-6-13/h2-6,11-12,15H,7-10H2,1H3/t11-,12-/m0/s1.
What are the key properties of [(3S,5S)-5-methyl-1-phenylpiperidin-3-yl]methanol?
[(3S,5S)-5-methyl-1-phenylpiperidin-3-yl]methanol has a molecular weight of 205.30 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-5-methyl-1-phenylpiperidin-3-yl]methanol is sourced from PubChem (CID 134906133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).