2-chloro-4-ethyl-6-(piperidin-4-ylmethyl)phenol

C14H20ClNO — CID 117387726

IUPAC2-chloro-4-ethyl-6-(piperidin-4-ylmethyl)phenol
SMILESCCc1cc(Cl)c(O)c(CC2CCNCC2)c1
InChIInChI=1S/C14H20ClNO/c1-2-10-7-12(14(17)13(15)9-10)8-11-3-5-16-6-4-11/h7,9,11,16-17H,2-6,8H2,1H3
InChIKeyBFUJQOCQAJVJLR-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.15
Rot. Bonds3

About 2-chloro-4-ethyl-6-(piperidin-4-ylmethyl)phenol

2-chloro-4-ethyl-6-(piperidin-4-ylmethyl)phenol (PubChem CID 117387726) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-chloro-4-ethyl-6-(piperidin-4-ylmethyl)phenol.

Molecular Properties

Compound Name2-chloro-4-ethyl-6-(piperidin-4-ylmethyl)phenol
PubChem CID117387726
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-chloro-4-ethyl-6-(piperidin-4-ylmethyl)phenol
SMILESCCc1cc(Cl)c(O)c(CC2CCNCC2)c1
InChIInChI=1S/C14H20ClNO/c1-2-10-7-12(14(17)13(15)9-10)8-11-3-5-16-6-4-11/h7,9,11,16-17H,2-6,8H2,1H3
InChIKeyBFUJQOCQAJVJLR-UHFFFAOYSA-N
XLogP3.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-fluoro-6-(piperidin-4-ylmethyl)phenol
CID 84798682
3-ethyl-5-(piperidin-4-ylmethyl)phenol
CID 117312985
2-tert-butyl-4-chloro-6-(piperidin-4-ylmethyl)phenol
CID 117452826
2-chloro-4-methyl-5-(piperidin-4-ylmethyl)phenol
CID 84800081
4-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117382042
2,3,4-trifluoro-6-(piperidin-4-ylmethyl)phenol
CID 117364515
4-[(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine
CID 117476646
4-fluoro-2-methyl-6-(piperidin-4-ylmethyl)phenol
CID 84789132
4-[(3-chloro-4,5-dimethylphenyl)methyl]piperidine
CID 84798985
2-chloro-4-ethyl-6-(3-hydroxypropyl)phenol
CID 117305990
4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786987
3-chloro-5-ethylbenzene-1,2-diol
CID 84654490

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-6-(piperidin-4-ylmethyl)phenol?
The IUPAC name of 2-chloro-4-ethyl-6-(piperidin-4-ylmethyl)phenol (CID 117387726) is 2-chloro-4-ethyl-6-(piperidin-4-ylmethyl)phenol.
What is the SMILES notation for 2-chloro-4-ethyl-6-(piperidin-4-ylmethyl)phenol?
The canonical SMILES for 2-chloro-4-ethyl-6-(piperidin-4-ylmethyl)phenol is CCc1cc(Cl)c(O)c(CC2CCNCC2)c1.
What is the InChIKey of 2-chloro-4-ethyl-6-(piperidin-4-ylmethyl)phenol?
The InChIKey is BFUJQOCQAJVJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-10-7-12(14(17)13(15)9-10)8-11-3-5-16-6-4-11/h7,9,11,16-17H,2-6,8H2,1H3.
What are the key properties of 2-chloro-4-ethyl-6-(piperidin-4-ylmethyl)phenol?
2-chloro-4-ethyl-6-(piperidin-4-ylmethyl)phenol has a molecular weight of 253.77 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-6-(piperidin-4-ylmethyl)phenol is sourced from PubChem (CID 117387726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).