4-[2-(4-benzylpiperidin-1-yl)propyl]phenol

C21H27NO — CID 15104688

IUPAC4-[2-(4-benzylpiperidin-1-yl)propyl]phenol
SMILESCC(Cc1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H27NO/c1-17(15-19-7-9-21(23)10-8-19)22-13-11-20(12-14-22)16-18-5-3-2-4-6-18/h2-10,17,20,23H,11-16H2,1H3
InChIKeyCLOYGOHFEGFPSR-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.28
Rot. Bonds5

About 4-[2-(4-benzylpiperidin-1-yl)propyl]phenol

4-[2-(4-benzylpiperidin-1-yl)propyl]phenol (PubChem CID 15104688) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 4-[2-(4-benzylpiperidin-1-yl)propyl]phenol.

Molecular Properties

Compound Name4-[2-(4-benzylpiperidin-1-yl)propyl]phenol
PubChem CID15104688
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name4-[2-(4-benzylpiperidin-1-yl)propyl]phenol
SMILESCC(Cc1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H27NO/c1-17(15-19-7-9-21(23)10-8-19)22-13-11-20(12-14-22)16-18-5-3-2-4-6-18/h2-10,17,20,23H,11-16H2,1H3
InChIKeyCLOYGOHFEGFPSR-UHFFFAOYSA-N
XLogP4.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-benzylpiperidin-1-yl)propyl]phenol?
The IUPAC name of 4-[2-(4-benzylpiperidin-1-yl)propyl]phenol (CID 15104688) is 4-[2-(4-benzylpiperidin-1-yl)propyl]phenol.
What is the SMILES notation for 4-[2-(4-benzylpiperidin-1-yl)propyl]phenol?
The canonical SMILES for 4-[2-(4-benzylpiperidin-1-yl)propyl]phenol is CC(Cc1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-[2-(4-benzylpiperidin-1-yl)propyl]phenol?
The InChIKey is CLOYGOHFEGFPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-17(15-19-7-9-21(23)10-8-19)22-13-11-20(12-14-22)16-18-5-3-2-4-6-18/h2-10,17,20,23H,11-16H2,1H3.
What are the key properties of 4-[2-(4-benzylpiperidin-1-yl)propyl]phenol?
4-[2-(4-benzylpiperidin-1-yl)propyl]phenol has a molecular weight of 309.45 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-benzylpiperidin-1-yl)propyl]phenol is sourced from PubChem (CID 15104688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).