2-[(2-ethylpiperidin-2-yl)methyl]phenol

C14H21NO — CID 115058890

IUPAC2-[(2-ethylpiperidin-2-yl)methyl]phenol
SMILESCCC1(Cc2ccccc2O)CCCCN1
InChIInChI=1S/C14H21NO/c1-2-14(9-5-6-10-15-14)11-12-7-3-4-8-13(12)16/h3-4,7-8,15-16H,2,5-6,9-11H2,1H3
InChIKeyLPPDKLHDNJHZKE-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.86
Rot. Bonds3

About 2-[(2-ethylpiperidin-2-yl)methyl]phenol

2-[(2-ethylpiperidin-2-yl)methyl]phenol (PubChem CID 115058890) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[(2-ethylpiperidin-2-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(2-ethylpiperidin-2-yl)methyl]phenol
PubChem CID115058890
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[(2-ethylpiperidin-2-yl)methyl]phenol
SMILESCCC1(Cc2ccccc2O)CCCCN1
InChIInChI=1S/C14H21NO/c1-2-14(9-5-6-10-15-14)11-12-7-3-4-8-13(12)16/h3-4,7-8,15-16H,2,5-6,9-11H2,1H3
InChIKeyLPPDKLHDNJHZKE-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylpiperidin-2-yl)methyl]phenol?
The IUPAC name of 2-[(2-ethylpiperidin-2-yl)methyl]phenol (CID 115058890) is 2-[(2-ethylpiperidin-2-yl)methyl]phenol.
What is the SMILES notation for 2-[(2-ethylpiperidin-2-yl)methyl]phenol?
The canonical SMILES for 2-[(2-ethylpiperidin-2-yl)methyl]phenol is CCC1(Cc2ccccc2O)CCCCN1.
What is the InChIKey of 2-[(2-ethylpiperidin-2-yl)methyl]phenol?
The InChIKey is LPPDKLHDNJHZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-14(9-5-6-10-15-14)11-12-7-3-4-8-13(12)16/h3-4,7-8,15-16H,2,5-6,9-11H2,1H3.
What are the key properties of 2-[(2-ethylpiperidin-2-yl)methyl]phenol?
2-[(2-ethylpiperidin-2-yl)methyl]phenol has a molecular weight of 219.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylpiperidin-2-yl)methyl]phenol is sourced from PubChem (CID 115058890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).