3-(1-propylpiperidin-4-yl)phenol

C14H21NO — CID 12988959

IUPAC3-(1-propylpiperidin-4-yl)phenol
SMILESCCCN1CCC(c2cccc(O)c2)CC1
InChIInChI=1S/C14H21NO/c1-2-8-15-9-6-12(7-10-15)13-4-3-5-14(16)11-13/h3-5,11-12,16H,2,6-10H2,1H3
InChIKeyHPUYFCNUROWQBG-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.98
Rot. Bonds3

About 3-(1-propylpiperidin-4-yl)phenol

3-(1-propylpiperidin-4-yl)phenol (PubChem CID 12988959) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(1-propylpiperidin-4-yl)phenol.

Molecular Properties

Compound Name3-(1-propylpiperidin-4-yl)phenol
PubChem CID12988959
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(1-propylpiperidin-4-yl)phenol
SMILESCCCN1CCC(c2cccc(O)c2)CC1
InChIInChI=1S/C14H21NO/c1-2-8-15-9-6-12(7-10-15)13-4-3-5-14(16)11-13/h3-5,11-12,16H,2,6-10H2,1H3
InChIKeyHPUYFCNUROWQBG-UHFFFAOYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propylpiperidin-4-yl)phenol?
The IUPAC name of 3-(1-propylpiperidin-4-yl)phenol (CID 12988959) is 3-(1-propylpiperidin-4-yl)phenol.
What is the SMILES notation for 3-(1-propylpiperidin-4-yl)phenol?
The canonical SMILES for 3-(1-propylpiperidin-4-yl)phenol is CCCN1CCC(c2cccc(O)c2)CC1.
What is the InChIKey of 3-(1-propylpiperidin-4-yl)phenol?
The InChIKey is HPUYFCNUROWQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-8-15-9-6-12(7-10-15)13-4-3-5-14(16)11-13/h3-5,11-12,16H,2,6-10H2,1H3.
What are the key properties of 3-(1-propylpiperidin-4-yl)phenol?
3-(1-propylpiperidin-4-yl)phenol has a molecular weight of 219.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propylpiperidin-4-yl)phenol is sourced from PubChem (CID 12988959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).