2,6-difluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol

C15H21F2NO — CID 103887255

IUPAC2,6-difluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol
SMILESCC(C)C1CCN(Cc2cc(F)c(O)c(F)c2)CC1
InChIInChI=1S/C15H21F2NO/c1-10(2)12-3-5-18(6-4-12)9-11-7-13(16)15(19)14(17)8-11/h7-8,10,12,19H,3-6,9H2,1-2H3
InChIKeyPSJZBHZQXSLQJR-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.54
Rot. Bonds3

About 2,6-difluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol

2,6-difluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol (PubChem CID 103887255) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 2,6-difluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol
PubChem CID103887255
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name2,6-difluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol
SMILESCC(C)C1CCN(Cc2cc(F)c(O)c(F)c2)CC1
InChIInChI=1S/C15H21F2NO/c1-10(2)12-3-5-18(6-4-12)9-11-7-13(16)15(19)14(17)8-11/h7-8,10,12,19H,3-6,9H2,1-2H3
InChIKeyPSJZBHZQXSLQJR-UHFFFAOYSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 162490790
3-fluoro-5-[(4-propan-2-ylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 103495761
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-2,6-difluorophenol
CID 82981471
1-[(3-bromo-5-fluorophenyl)methyl]-4-propan-2-ylazepane
CID 79706574
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 55216872
N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide
CID 174748455
1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 103728236
4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,6-difluorophenol
CID 82979964
4-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridazine
CID 166142491
2,6-difluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol
CID 82983030
2-fluoro-5-[(4-propan-2-ylazepan-1-yl)methyl]benzenecarbothioamide
CID 107879410
1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 103657157

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol (CID 103887255) is 2,6-difluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol is CC(C)C1CCN(Cc2cc(F)c(O)c(F)c2)CC1.
What is the InChIKey of 2,6-difluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol?
The InChIKey is PSJZBHZQXSLQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-10(2)12-3-5-18(6-4-12)9-11-7-13(16)15(19)14(17)8-11/h7-8,10,12,19H,3-6,9H2,1-2H3.
What are the key properties of 2,6-difluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol?
2,6-difluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol has a molecular weight of 269.33 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 103887255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).