2-piperidin-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol

C19H31NO — CID 117467895

IUPAC2-piperidin-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1ccc(O)c(C2CCCCN2)c1
InChIInChI=1S/C19H31NO/c1-18(2,3)13-19(4,5)14-9-10-17(21)15(12-14)16-8-6-7-11-20-16/h9-10,12,16,20-21H,6-8,11,13H2,1-5H3
InChIKeyLZMLJJRCCLRUNQ-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.92
Rot. Bonds3

About 2-piperidin-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol

2-piperidin-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 117467895) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-piperidin-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name2-piperidin-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID117467895
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-piperidin-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1ccc(O)c(C2CCCCN2)c1
InChIInChI=1S/C19H31NO/c1-18(2,3)13-19(4,5)14-9-10-17(21)15(12-14)16-8-6-7-11-20-16/h9-10,12,16,20-21H,6-8,11,13H2,1-5H3
InChIKeyLZMLJJRCCLRUNQ-UHFFFAOYSA-N
XLogP4.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-piperidin-2-ylphenol
CID 82623427
4-methoxy-2-[(2S)-piperidin-2-yl]phenol
CID 131531573
4-methoxy-2-[(2R)-piperidin-2-yl]phenol
CID 131513044
4-fluoro-2-pyrrolidin-2-ylphenol
CID 55283497
2-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethoxy)phenol
CID 171196437
methyl 2-[4-hydroxy-3-[(2R)-pyrrolidin-2-yl]phenyl]acetate
CID 66519346
4-(2-methoxyethyl)-2-[(2S)-pyrrolidin-2-yl]phenol
CID 66519378
4-tert-butyl-2-[(2S)-pyrrolidin-2-yl]aniline
CID 66519039
4-(1-fluoroethyl)-2-pyrrolidin-2-ylphenol
CID 84677007
2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]piperidine
CID 117396450
2-(4-tert-butylphenyl)piperidine
CID 4137790
4-[(2R)-piperidin-2-yl]benzene-1,3-diol;hydrochloride
CID 171195341

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 2-piperidin-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol (CID 117467895) is 2-piperidin-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 2-piperidin-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 2-piperidin-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol is CC(C)(C)CC(C)(C)c1ccc(O)c(C2CCCCN2)c1.
What is the InChIKey of 2-piperidin-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is LZMLJJRCCLRUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-18(2,3)13-19(4,5)14-9-10-17(21)15(12-14)16-8-6-7-11-20-16/h9-10,12,16,20-21H,6-8,11,13H2,1-5H3.
What are the key properties of 2-piperidin-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol?
2-piperidin-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 289.46 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 117467895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).