4-(1-piperidin-3-ylethyl)phenol

C13H19NO — CID 83908771

IUPAC4-(1-piperidin-3-ylethyl)phenol
SMILESCC(c1ccc(O)cc1)C1CCCNC1
InChIInChI=1S/C13H19NO/c1-10(12-3-2-8-14-9-12)11-4-6-13(15)7-5-11/h4-7,10,12,14-15H,2-3,8-9H2,1H3
InChIKeySWVYETNCEDKAFE-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.50
Rot. Bonds2

About 4-(1-piperidin-3-ylethyl)phenol

4-(1-piperidin-3-ylethyl)phenol (PubChem CID 83908771) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(1-piperidin-3-ylethyl)phenol.

Molecular Properties

Compound Name4-(1-piperidin-3-ylethyl)phenol
PubChem CID83908771
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(1-piperidin-3-ylethyl)phenol
SMILESCC(c1ccc(O)cc1)C1CCCNC1
InChIInChI=1S/C13H19NO/c1-10(12-3-2-8-14-9-12)11-4-6-13(15)7-5-11/h4-7,10,12,14-15H,2-3,8-9H2,1H3
InChIKeySWVYETNCEDKAFE-UHFFFAOYSA-N
XLogP2.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-piperidin-3-ylethyl)phenol?
The IUPAC name of 4-(1-piperidin-3-ylethyl)phenol (CID 83908771) is 4-(1-piperidin-3-ylethyl)phenol.
What is the SMILES notation for 4-(1-piperidin-3-ylethyl)phenol?
The canonical SMILES for 4-(1-piperidin-3-ylethyl)phenol is CC(c1ccc(O)cc1)C1CCCNC1.
What is the InChIKey of 4-(1-piperidin-3-ylethyl)phenol?
The InChIKey is SWVYETNCEDKAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(12-3-2-8-14-9-12)11-4-6-13(15)7-5-11/h4-7,10,12,14-15H,2-3,8-9H2,1H3.
What are the key properties of 4-(1-piperidin-3-ylethyl)phenol?
4-(1-piperidin-3-ylethyl)phenol has a molecular weight of 205.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-piperidin-3-ylethyl)phenol is sourced from PubChem (CID 83908771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).