2-tert-butyl-4-chloro-6-(piperidin-4-ylmethyl)phenol

C16H24ClNO — CID 117452826

IUPAC2-tert-butyl-4-chloro-6-(piperidin-4-ylmethyl)phenol
SMILESCC(C)(C)c1cc(Cl)cc(CC2CCNCC2)c1O
InChIInChI=1S/C16H24ClNO/c1-16(2,3)14-10-13(17)9-12(15(14)19)8-11-4-6-18-7-5-11/h9-11,18-19H,4-8H2,1-3H3
InChIKeyBZGLXBZHBWRCIZ-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.89
Rot. Bonds2

About 2-tert-butyl-4-chloro-6-(piperidin-4-ylmethyl)phenol

2-tert-butyl-4-chloro-6-(piperidin-4-ylmethyl)phenol (PubChem CID 117452826) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-6-(piperidin-4-ylmethyl)phenol.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-6-(piperidin-4-ylmethyl)phenol
PubChem CID117452826
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name2-tert-butyl-4-chloro-6-(piperidin-4-ylmethyl)phenol
SMILESCC(C)(C)c1cc(Cl)cc(CC2CCNCC2)c1O
InChIInChI=1S/C16H24ClNO/c1-16(2,3)14-10-13(17)9-12(15(14)19)8-11-4-6-18-7-5-11/h9-11,18-19H,4-8H2,1-3H3
InChIKeyBZGLXBZHBWRCIZ-UHFFFAOYSA-N
XLogP3.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-4-chloro-6-(piperidin-4-ylmethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-ethyl-6-(piperidin-4-ylmethyl)phenol
CID 117387726
4-chloro-2-fluoro-6-(pyrrolidin-3-ylmethyl)phenol
CID 84793216
2-chloro-4-methyl-5-(piperidin-4-ylmethyl)phenol
CID 84800081
4-[(5-chloro-2-methylphenyl)methyl]piperidine
CID 84688935
4-[(5-chloro-3-methoxy-2-methylphenyl)methyl]piperidine
CID 117387723
4-fluoro-2-methyl-6-(piperidin-4-ylmethyl)phenol
CID 84789132
2,3,4-trifluoro-6-(piperidin-4-ylmethyl)phenol
CID 117364515
4-[(6-chloro-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117387532
4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786987
3-(3-tert-butyl-5-chloro-2-hydroxyphenyl)propanoic acid
CID 117395317
4-ethyl-2-fluoro-6-(piperidin-4-ylmethyl)phenol
CID 84798682
2-tert-butyl-4-chloro-6-pyrrolidin-2-ylphenol
CID 117387935

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-6-(piperidin-4-ylmethyl)phenol?
The IUPAC name of 2-tert-butyl-4-chloro-6-(piperidin-4-ylmethyl)phenol (CID 117452826) is 2-tert-butyl-4-chloro-6-(piperidin-4-ylmethyl)phenol.
What is the SMILES notation for 2-tert-butyl-4-chloro-6-(piperidin-4-ylmethyl)phenol?
The canonical SMILES for 2-tert-butyl-4-chloro-6-(piperidin-4-ylmethyl)phenol is CC(C)(C)c1cc(Cl)cc(CC2CCNCC2)c1O.
What is the InChIKey of 2-tert-butyl-4-chloro-6-(piperidin-4-ylmethyl)phenol?
The InChIKey is BZGLXBZHBWRCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-16(2,3)14-10-13(17)9-12(15(14)19)8-11-4-6-18-7-5-11/h9-11,18-19H,4-8H2,1-3H3.
What are the key properties of 2-tert-butyl-4-chloro-6-(piperidin-4-ylmethyl)phenol?
2-tert-butyl-4-chloro-6-(piperidin-4-ylmethyl)phenol has a molecular weight of 281.83 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-6-(piperidin-4-ylmethyl)phenol is sourced from PubChem (CID 117452826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).