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

C14H21NO — CID 12937984

IUPAC4-(1-propylpiperidin-3-yl)phenol
SMILESCCCN1CCCC(c2ccc(O)cc2)C1
InChIInChI=1S/C14H21NO/c1-2-9-15-10-3-4-13(11-15)12-5-7-14(16)8-6-12/h5-8,13,16H,2-4,9-11H2,1H3
InChIKeyZZGZPMSRLVMPQR-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.98
Rot. Bonds3

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

4-(1-propylpiperidin-3-yl)phenol (PubChem CID 12937984) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(1-propylpiperidin-3-yl)phenol.

Molecular Properties

Compound Name4-(1-propylpiperidin-3-yl)phenol
PubChem CID12937984
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-(1-propylpiperidin-3-yl)phenol
SMILESCCCN1CCCC(c2ccc(O)cc2)C1
InChIInChI=1S/C14H21NO/c1-2-9-15-10-3-4-13(11-15)12-5-7-14(16)8-6-12/h5-8,13,16H,2-4,9-11H2,1H3
InChIKeyZZGZPMSRLVMPQR-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

Analyze 4-(1-propylpiperidin-3-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-propylpiperidin-3-yl)phenol?
The IUPAC name of 4-(1-propylpiperidin-3-yl)phenol (CID 12937984) is 4-(1-propylpiperidin-3-yl)phenol.
What is the SMILES notation for 4-(1-propylpiperidin-3-yl)phenol?
The canonical SMILES for 4-(1-propylpiperidin-3-yl)phenol is CCCN1CCCC(c2ccc(O)cc2)C1.
What is the InChIKey of 4-(1-propylpiperidin-3-yl)phenol?
The InChIKey is ZZGZPMSRLVMPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-9-15-10-3-4-13(11-15)12-5-7-14(16)8-6-12/h5-8,13,16H,2-4,9-11H2,1H3.
What are the key properties of 4-(1-propylpiperidin-3-yl)phenol?
4-(1-propylpiperidin-3-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 4-(1-propylpiperidin-3-yl)phenol is sourced from PubChem (CID 12937984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).