[(2S)-1-methylpiperidin-2-yl]-phenylmethanol

C13H19NO — CID 67164631

IUPAC[(2S)-1-methylpiperidin-2-yl]-phenylmethanol
SMILESCN1CCCC[C@H]1C(O)c1ccccc1
InChIInChI=1S/C13H19NO/c1-14-10-6-5-9-12(14)13(15)11-7-3-2-4-8-11/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13?/m0/s1
InChIKeyJGAYLCZXGQAXQC-UEWDXFNNSA-N
MW205.30 g/mol
LogP2.20
Rot. Bonds2

About [(2S)-1-methylpiperidin-2-yl]-phenylmethanol

[(2S)-1-methylpiperidin-2-yl]-phenylmethanol (PubChem CID 67164631) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [(2S)-1-methylpiperidin-2-yl]-phenylmethanol.

Molecular Properties

Compound Name[(2S)-1-methylpiperidin-2-yl]-phenylmethanol
PubChem CID67164631
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[(2S)-1-methylpiperidin-2-yl]-phenylmethanol
SMILESCN1CCCC[C@H]1C(O)c1ccccc1
InChIInChI=1S/C13H19NO/c1-14-10-6-5-9-12(14)13(15)11-7-3-2-4-8-11/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13?/m0/s1
InChIKeyJGAYLCZXGQAXQC-UEWDXFNNSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-methyl-1-[(2S)-1-methylpiperidin-2-yl]-1-phenylmethanamine
CID 67869065
(1,4-dimethylpiperidin-2-yl)-phenylmethanol
CID 68502883
2-benzhydryl-1-methylpyrrolidine
CID 71178925
[(2S)-1-methylpiperidin-2-yl]-(3-pyridin-2-ylphenyl)methanol
CID 69185387
(1-benzylpiperidin-2-yl)-phenylmethanol
CID 14816704
3-[(S)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]phenol
CID 129360203
phenyl-(1-phenylpyrrolidin-2-yl)methanol
CID 164523197
(1R)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethanol;hydrochloride
CID 24842687
(S)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-phenylmethanol
CID 71665857
tert-butyl 2-[hydroxy(phenyl)methyl]azepane-1-carboxylate
CID 21106393
(R)-(2-methylidenecyclohexyl)-phenylmethanol
CID 101364678
[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 126820795

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methylpiperidin-2-yl]-phenylmethanol?
The IUPAC name of [(2S)-1-methylpiperidin-2-yl]-phenylmethanol (CID 67164631) is [(2S)-1-methylpiperidin-2-yl]-phenylmethanol.
What is the SMILES notation for [(2S)-1-methylpiperidin-2-yl]-phenylmethanol?
The canonical SMILES for [(2S)-1-methylpiperidin-2-yl]-phenylmethanol is CN1CCCC[C@H]1C(O)c1ccccc1.
What is the InChIKey of [(2S)-1-methylpiperidin-2-yl]-phenylmethanol?
The InChIKey is JGAYLCZXGQAXQC-UEWDXFNNSA-N. The full InChI is InChI=1S/C13H19NO/c1-14-10-6-5-9-12(14)13(15)11-7-3-2-4-8-11/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13?/m0/s1.
What are the key properties of [(2S)-1-methylpiperidin-2-yl]-phenylmethanol?
[(2S)-1-methylpiperidin-2-yl]-phenylmethanol has a molecular weight of 205.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methylpiperidin-2-yl]-phenylmethanol is sourced from PubChem (CID 67164631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).