2-fluoro-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol

C15H23FN2O — CID 103784734

IUPAC2-fluoro-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol
SMILESCC(C)N1CCC(NCc2ccc(O)c(F)c2)CC1
InChIInChI=1S/C15H23FN2O/c1-11(2)18-7-5-13(6-8-18)17-10-12-3-4-15(19)14(16)9-12/h3-4,9,11,13,17,19H,5-8,10H2,1-2H3
InChIKeyPKXJNDXDPFJRCR-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.49
Rot. Bonds4

About 2-fluoro-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol

2-fluoro-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol (PubChem CID 103784734) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-fluoro-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol
PubChem CID103784734
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-fluoro-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol
SMILESCC(C)N1CCC(NCc2ccc(O)c(F)c2)CC1
InChIInChI=1S/C15H23FN2O/c1-11(2)18-7-5-13(6-8-18)17-10-12-3-4-15(19)14(16)9-12/h3-4,9,11,13,17,19H,5-8,10H2,1-2H3
InChIKeyPKXJNDXDPFJRCR-UHFFFAOYSA-N
XLogP2.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]benzene-1,2-diol
CID 28716549
4-[[(1-ethylpiperidin-4-yl)amino]methyl]-2-fluorophenol
CID 103784727
4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-fluorophenol
CID 107685595
N-[(2,4-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 28716417
2-fluoro-4-[(oxetan-3-ylamino)methyl]phenol
CID 103874812
4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol
CID 28717433
N-(1H-indol-5-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 102909363
2-fluoro-4-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
CID 107685969
[4-[(cyclopropylamino)methyl]-2-fluorophenyl]boronic acid
CID 56776658
4-[(1-cyclopropylethylamino)methyl]-2-fluorophenol
CID 115677224
N-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 63669754
2-[[(1-propan-2-ylazepan-4-yl)amino]methyl]phenol
CID 114331588

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol?
The IUPAC name of 2-fluoro-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol (CID 103784734) is 2-fluoro-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol?
The canonical SMILES for 2-fluoro-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol is CC(C)N1CCC(NCc2ccc(O)c(F)c2)CC1.
What is the InChIKey of 2-fluoro-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol?
The InChIKey is PKXJNDXDPFJRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(2)18-7-5-13(6-8-18)17-10-12-3-4-15(19)14(16)9-12/h3-4,9,11,13,17,19H,5-8,10H2,1-2H3.
What are the key properties of 2-fluoro-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol?
2-fluoro-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol has a molecular weight of 266.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol is sourced from PubChem (CID 103784734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).