3-ethyl-5-(piperidin-4-ylmethyl)phenol

C14H21NO — CID 117312985

IUPAC3-ethyl-5-(piperidin-4-ylmethyl)phenol
SMILESCCc1cc(O)cc(CC2CCNCC2)c1
InChIInChI=1S/C14H21NO/c1-2-11-7-13(10-14(16)9-11)8-12-3-5-15-6-4-12/h7,9-10,12,15-16H,2-6,8H2,1H3
InChIKeyZWBHLHDMMZEIAH-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.50
Rot. Bonds3

About 3-ethyl-5-(piperidin-4-ylmethyl)phenol

3-ethyl-5-(piperidin-4-ylmethyl)phenol (PubChem CID 117312985) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-ethyl-5-(piperidin-4-ylmethyl)phenol.

Molecular Properties

Compound Name3-ethyl-5-(piperidin-4-ylmethyl)phenol
PubChem CID117312985
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-ethyl-5-(piperidin-4-ylmethyl)phenol
SMILESCCc1cc(O)cc(CC2CCNCC2)c1
InChIInChI=1S/C14H21NO/c1-2-11-7-13(10-14(16)9-11)8-12-3-5-15-6-4-12/h7,9-10,12,15-16H,2-6,8H2,1H3
InChIKeyZWBHLHDMMZEIAH-UHFFFAOYSA-N
XLogP2.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(piperidin-4-ylmethyl)phenol
CID 17039495
4-ethyl-2-fluoro-6-(piperidin-4-ylmethyl)phenol
CID 84798682
2-chloro-4-ethyl-6-(piperidin-4-ylmethyl)phenol
CID 117387726
5-(cyclopropylmethyl)benzene-1,3-diol
CID 89372434
4-(azepan-4-ylmethyl)phenol
CID 83261604
3-(azepan-4-ylmethyl)phenol
CID 83261812
2-chloro-3-methyl-5-(piperidin-4-ylmethyl)phenol
CID 84800082
4-[[3-methoxy-5-(methoxymethyl)phenyl]methyl]piperidine
CID 117377205
4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride
CID 86007003
4-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117382042
4-fluoro-3-methyl-5-(piperidin-4-ylmethyl)phenol
CID 117320386
3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol
CID 117381520

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(piperidin-4-ylmethyl)phenol?
The IUPAC name of 3-ethyl-5-(piperidin-4-ylmethyl)phenol (CID 117312985) is 3-ethyl-5-(piperidin-4-ylmethyl)phenol.
What is the SMILES notation for 3-ethyl-5-(piperidin-4-ylmethyl)phenol?
The canonical SMILES for 3-ethyl-5-(piperidin-4-ylmethyl)phenol is CCc1cc(O)cc(CC2CCNCC2)c1.
What is the InChIKey of 3-ethyl-5-(piperidin-4-ylmethyl)phenol?
The InChIKey is ZWBHLHDMMZEIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-11-7-13(10-14(16)9-11)8-12-3-5-15-6-4-12/h7,9-10,12,15-16H,2-6,8H2,1H3.
What are the key properties of 3-ethyl-5-(piperidin-4-ylmethyl)phenol?
3-ethyl-5-(piperidin-4-ylmethyl)phenol has a molecular weight of 219.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(piperidin-4-ylmethyl)phenol is sourced from PubChem (CID 117312985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).