4-[(2S,4R)-4-methylpiperidin-2-yl]phenol

C12H17NO — CID 138627789

IUPAC4-[(2S,4R)-4-methylpiperidin-2-yl]phenol
SMILESC[C@@H]1CCN[C@H](c2ccc(O)cc2)C1
InChIInChI=1S/C12H17NO/c1-9-6-7-13-12(8-9)10-2-4-11(14)5-3-10/h2-5,9,12-14H,6-8H2,1H3/t9-,12+/m1/s1
InChIKeySSHQJYHMISMBHZ-SKDRFNHKSA-N
MW191.27 g/mol
LogP2.45
Rot. Bonds1

About 4-[(2S,4R)-4-methylpiperidin-2-yl]phenol

4-[(2S,4R)-4-methylpiperidin-2-yl]phenol (PubChem CID 138627789) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-[(2S,4R)-4-methylpiperidin-2-yl]phenol.

Molecular Properties

Compound Name4-[(2S,4R)-4-methylpiperidin-2-yl]phenol
PubChem CID138627789
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-[(2S,4R)-4-methylpiperidin-2-yl]phenol
SMILESC[C@@H]1CCN[C@H](c2ccc(O)cc2)C1
InChIInChI=1S/C12H17NO/c1-9-6-7-13-12(8-9)10-2-4-11(14)5-3-10/h2-5,9,12-14H,6-8H2,1H3/t9-,12+/m1/s1
InChIKeySSHQJYHMISMBHZ-SKDRFNHKSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2S,4R)-4-aminopiperidin-2-yl]phenol
CID 82656489
2-(3-fluoro-4-methylphenyl)-4-methylpiperidine
CID 115502554
4-piperidin-2-ylphenol
CID 19711202
(2R,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidine
CID 95566877
N-(4-hydroxyphenyl)-N,4-dimethylpiperidine-2-carboxamide
CID 107734352
(2R,4S)-2-(4-fluorophenyl)piperidin-4-ol
CID 67506323
4-[2-(methoxymethyl)piperidin-4-yl]phenol
CID 117258631
2-(2-cyclobutylphenyl)-4-methylpiperidine
CID 114605954
2-(1,3-dimethylpyrazol-4-yl)-4-methylpiperidine
CID 130682300
4-(5-methyl-1,3-thiazolidin-2-yl)phenol
CID 56624787
(2R,4R)-4-methyl-2-phenylpyrrolidine
CID 101063094
(4R)-2,4-dimethylpiperidine
CID 144551274

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,4R)-4-methylpiperidin-2-yl]phenol?
The IUPAC name of 4-[(2S,4R)-4-methylpiperidin-2-yl]phenol (CID 138627789) is 4-[(2S,4R)-4-methylpiperidin-2-yl]phenol.
What is the SMILES notation for 4-[(2S,4R)-4-methylpiperidin-2-yl]phenol?
The canonical SMILES for 4-[(2S,4R)-4-methylpiperidin-2-yl]phenol is C[C@@H]1CCN[C@H](c2ccc(O)cc2)C1.
What is the InChIKey of 4-[(2S,4R)-4-methylpiperidin-2-yl]phenol?
The InChIKey is SSHQJYHMISMBHZ-SKDRFNHKSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-6-7-13-12(8-9)10-2-4-11(14)5-3-10/h2-5,9,12-14H,6-8H2,1H3/t9-,12+/m1/s1.
What are the key properties of 4-[(2S,4R)-4-methylpiperidin-2-yl]phenol?
4-[(2S,4R)-4-methylpiperidin-2-yl]phenol has a molecular weight of 191.27 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,4R)-4-methylpiperidin-2-yl]phenol is sourced from PubChem (CID 138627789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).