4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-fluorophenol

C15H21FN2O — CID 107685595

IUPAC4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-fluorophenol
SMILESOc1ccc(CNC2CCN(C3CC3)CC2)cc1F
InChIInChI=1S/C15H21FN2O/c16-14-9-11(1-4-15(14)19)10-17-12-5-7-18(8-6-12)13-2-3-13/h1,4,9,12-13,17,19H,2-3,5-8,10H2
InChIKeyKWRMSPIOLCBUNY-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.25
Rot. Bonds4

About 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-fluorophenol

4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-fluorophenol (PubChem CID 107685595) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-fluorophenol
PubChem CID107685595
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-fluorophenol
SMILESOc1ccc(CNC2CCN(C3CC3)CC2)cc1F
InChIInChI=1S/C15H21FN2O/c16-14-9-11(1-4-15(14)19)10-17-12-5-7-18(8-6-12)13-2-3-13/h1,4,9,12-13,17,19H,2-3,5-8,10H2
InChIKeyKWRMSPIOLCBUNY-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-fluorophenol?
The IUPAC name of 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-fluorophenol (CID 107685595) is 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-fluorophenol.
What is the SMILES notation for 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-fluorophenol?
The canonical SMILES for 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-fluorophenol is Oc1ccc(CNC2CCN(C3CC3)CC2)cc1F.
What is the InChIKey of 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-fluorophenol?
The InChIKey is KWRMSPIOLCBUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c16-14-9-11(1-4-15(14)19)10-17-12-5-7-18(8-6-12)13-2-3-13/h1,4,9,12-13,17,19H,2-3,5-8,10H2.
What are the key properties of 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-fluorophenol?
4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-fluorophenol has a molecular weight of 264.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-fluorophenol is sourced from PubChem (CID 107685595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).