(3,4-difluorophenyl)-piperidin-4-ylmethanol

C12H15F2NO — CID 43146486

IUPAC(3,4-difluorophenyl)-piperidin-4-ylmethanol
SMILESOC(c1ccc(F)c(F)c1)C1CCNCC1
InChIInChI=1S/C12H15F2NO/c13-10-2-1-9(7-11(10)14)12(16)8-3-5-15-6-4-8/h1-2,7-8,12,15-16H,3-6H2
InChIKeyKXMGXYGBOFEOFS-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.00
Rot. Bonds2

About (3,4-difluorophenyl)-piperidin-4-ylmethanol

(3,4-difluorophenyl)-piperidin-4-ylmethanol (PubChem CID 43146486) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is (3,4-difluorophenyl)-piperidin-4-ylmethanol.

Molecular Properties

Compound Name(3,4-difluorophenyl)-piperidin-4-ylmethanol
PubChem CID43146486
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name(3,4-difluorophenyl)-piperidin-4-ylmethanol
SMILESOC(c1ccc(F)c(F)c1)C1CCNCC1
InChIInChI=1S/C12H15F2NO/c13-10-2-1-9(7-11(10)14)12(16)8-3-5-15-6-4-8/h1-2,7-8,12,15-16H,3-6H2
InChIKeyKXMGXYGBOFEOFS-UHFFFAOYSA-N
XLogP2.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287810
(S)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184621
(R)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184618
azepan-4-yl-(4-chlorophenyl)methanol
CID 84701681
(R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 93183518
1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine
CID 116936470
(4-chloro-3-methylphenyl)-piperidin-4-ylmethanol
CID 82341457
piperidin-4-yl-[3-(trifluoromethyl)phenyl]methanol
CID 11392289
cyclopentyl-(4-fluoro-3-methylphenyl)methanol
CID 60929105
4-[hydroxy(piperidin-4-yl)methyl]benzoic acid
CID 105496132
2,3-dihydro-1-benzofuran-5-yl(piperidin-4-yl)methanol
CID 43146493
(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanol
CID 114826691

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-piperidin-4-ylmethanol?
The IUPAC name of (3,4-difluorophenyl)-piperidin-4-ylmethanol (CID 43146486) is (3,4-difluorophenyl)-piperidin-4-ylmethanol.
What is the SMILES notation for (3,4-difluorophenyl)-piperidin-4-ylmethanol?
The canonical SMILES for (3,4-difluorophenyl)-piperidin-4-ylmethanol is OC(c1ccc(F)c(F)c1)C1CCNCC1.
What is the InChIKey of (3,4-difluorophenyl)-piperidin-4-ylmethanol?
The InChIKey is KXMGXYGBOFEOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-10-2-1-9(7-11(10)14)12(16)8-3-5-15-6-4-8/h1-2,7-8,12,15-16H,3-6H2.
What are the key properties of (3,4-difluorophenyl)-piperidin-4-ylmethanol?
(3,4-difluorophenyl)-piperidin-4-ylmethanol has a molecular weight of 227.25 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-piperidin-4-ylmethanol is sourced from PubChem (CID 43146486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).