2-methyl-4-[(2R)-piperidin-2-yl]phenol

C12H17NO — CID 131198389

IUPAC2-methyl-4-[(2R)-piperidin-2-yl]phenol
SMILESCc1cc([C@H]2CCCCN2)ccc1O
InChIInChI=1S/C12H17NO/c1-9-8-10(5-6-12(9)14)11-4-2-3-7-13-11/h5-6,8,11,13-14H,2-4,7H2,1H3/t11-/m1/s1
InChIKeyIQNDDJMTAVRRMR-LLVKDONJSA-N
MW191.27 g/mol
LogP2.52
Rot. Bonds1

About 2-methyl-4-[(2R)-piperidin-2-yl]phenol

2-methyl-4-[(2R)-piperidin-2-yl]phenol (PubChem CID 131198389) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-methyl-4-[(2R)-piperidin-2-yl]phenol.

Molecular Properties

Compound Name2-methyl-4-[(2R)-piperidin-2-yl]phenol
PubChem CID131198389
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-methyl-4-[(2R)-piperidin-2-yl]phenol
SMILESCc1cc([C@H]2CCCCN2)ccc1O
InChIInChI=1S/C12H17NO/c1-9-8-10(5-6-12(9)14)11-4-2-3-7-13-11/h5-6,8,11,13-14H,2-4,7H2,1H3/t11-/m1/s1
InChIKeyIQNDDJMTAVRRMR-LLVKDONJSA-N
XLogP2.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-pyrrolidin-2-ylphenol
CID 55283669
2-iodo-4-[(2S)-piperidin-2-yl]phenol
CID 130646263
4-[(2S)-pyrrolidin-2-yl]benzene-1,2-diol
CID 66518287
2-bromo-5-[(2R)-piperidin-2-yl]phenol
CID 130699877
2-methyl-5-piperidin-2-ylaniline
CID 55272863
2-fluoro-5-[(2S)-piperidin-2-yl]phenol
CID 131076447
4-piperidin-2-ylphenol
CID 19711202
2-amino-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66518284
(2S)-2-(4-chloro-3-methylphenyl)pyrrolidine
CID 55253037
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66519672
2-chloro-6-methyl-4-piperidin-2-ylphenol
CID 84690212
2-methylsulfonyl-5-piperidin-2-ylphenol
CID 117391593

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2R)-piperidin-2-yl]phenol?
The IUPAC name of 2-methyl-4-[(2R)-piperidin-2-yl]phenol (CID 131198389) is 2-methyl-4-[(2R)-piperidin-2-yl]phenol.
What is the SMILES notation for 2-methyl-4-[(2R)-piperidin-2-yl]phenol?
The canonical SMILES for 2-methyl-4-[(2R)-piperidin-2-yl]phenol is Cc1cc([C@H]2CCCCN2)ccc1O.
What is the InChIKey of 2-methyl-4-[(2R)-piperidin-2-yl]phenol?
The InChIKey is IQNDDJMTAVRRMR-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-8-10(5-6-12(9)14)11-4-2-3-7-13-11/h5-6,8,11,13-14H,2-4,7H2,1H3/t11-/m1/s1.
What are the key properties of 2-methyl-4-[(2R)-piperidin-2-yl]phenol?
2-methyl-4-[(2R)-piperidin-2-yl]phenol has a molecular weight of 191.27 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2R)-piperidin-2-yl]phenol is sourced from PubChem (CID 131198389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).