4-[(2S,5R)-5-methylpiperidin-2-yl]-2-propan-2-ylphenol

C15H23NO — CID 164753784

IUPAC4-[(2S,5R)-5-methylpiperidin-2-yl]-2-propan-2-ylphenol
SMILESCC(C)c1cc([C@@H]2CC[C@@H](C)CN2)ccc1O
InChIInChI=1S/C15H23NO/c1-10(2)13-8-12(5-7-15(13)17)14-6-4-11(3)9-16-14/h5,7-8,10-11,14,16-17H,4,6,9H2,1-3H3/t11-,14+/m1/s1
InChIKeyBRPXBXYRMUKLFY-RISCZKNCSA-N
MW233.36 g/mol
LogP3.58
Rot. Bonds2

About 4-[(2S,5R)-5-methylpiperidin-2-yl]-2-propan-2-ylphenol

4-[(2S,5R)-5-methylpiperidin-2-yl]-2-propan-2-ylphenol (PubChem CID 164753784) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-[(2S,5R)-5-methylpiperidin-2-yl]-2-propan-2-ylphenol.

Molecular Properties

Compound Name4-[(2S,5R)-5-methylpiperidin-2-yl]-2-propan-2-ylphenol
PubChem CID164753784
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name4-[(2S,5R)-5-methylpiperidin-2-yl]-2-propan-2-ylphenol
SMILESCC(C)c1cc([C@@H]2CC[C@@H](C)CN2)ccc1O
InChIInChI=1S/C15H23NO/c1-10(2)13-8-12(5-7-15(13)17)14-6-4-11(3)9-16-14/h5,7-8,10-11,14,16-17H,4,6,9H2,1-3H3/t11-,14+/m1/s1
InChIKeyBRPXBXYRMUKLFY-RISCZKNCSA-N
XLogP3.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-(5-methylpiperidin-2-yl)phenol
CID 164750952
2,6-dimethyl-4-(5-methylpiperidin-2-yl)phenol
CID 164753381
(2R,5S)-2-(4-chloro-3-fluorophenyl)-5-methylpiperidine
CID 170904340
2-(3-cyclobutylphenyl)-5-methylpiperidine
CID 114606010
2-methyl-6-(5-methylpiperidin-2-yl)indazole
CID 171618705
CID 174054628
CID 174054628
6-(5-methylpiperidin-2-yl)-2,3-dihydroisoindol-1-one
CID 164752596
(2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine
CID 169114751
5-(5-methylpiperidin-2-yl)-1,3-benzothiazole
CID 164750446
2-(1-methylpiperidin-4-yl)-6-[(5S)-5-methylpiperidin-2-yl]-3H-isoindol-1-one
CID 164753272
6-(5-methylpiperidin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 164753190
3-methyl-7-[(2R,5S)-5-methylpiperidin-2-yl]quinoline
CID 169113739

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,5R)-5-methylpiperidin-2-yl]-2-propan-2-ylphenol?
The IUPAC name of 4-[(2S,5R)-5-methylpiperidin-2-yl]-2-propan-2-ylphenol (CID 164753784) is 4-[(2S,5R)-5-methylpiperidin-2-yl]-2-propan-2-ylphenol.
What is the SMILES notation for 4-[(2S,5R)-5-methylpiperidin-2-yl]-2-propan-2-ylphenol?
The canonical SMILES for 4-[(2S,5R)-5-methylpiperidin-2-yl]-2-propan-2-ylphenol is CC(C)c1cc([C@@H]2CC[C@@H](C)CN2)ccc1O.
What is the InChIKey of 4-[(2S,5R)-5-methylpiperidin-2-yl]-2-propan-2-ylphenol?
The InChIKey is BRPXBXYRMUKLFY-RISCZKNCSA-N. The full InChI is InChI=1S/C15H23NO/c1-10(2)13-8-12(5-7-15(13)17)14-6-4-11(3)9-16-14/h5,7-8,10-11,14,16-17H,4,6,9H2,1-3H3/t11-,14+/m1/s1.
What are the key properties of 4-[(2S,5R)-5-methylpiperidin-2-yl]-2-propan-2-ylphenol?
4-[(2S,5R)-5-methylpiperidin-2-yl]-2-propan-2-ylphenol has a molecular weight of 233.36 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,5R)-5-methylpiperidin-2-yl]-2-propan-2-ylphenol is sourced from PubChem (CID 164753784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).