[1-[2-[(2,5-difluorophenyl)methylamino]phenyl]piperidin-4-yl]methanol

C19H22F2N2O — CID 75513043

IUPAC[1-[2-[(2,5-difluorophenyl)methylamino]phenyl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ccccc2NCc2cc(F)ccc2F)CC1
InChIInChI=1S/C19H22F2N2O/c20-16-5-6-17(21)15(11-16)12-22-18-3-1-2-4-19(18)23-9-7-14(13-24)8-10-23/h1-6,11,14,22,24H,7-10,12-13H2
InChIKeyVHIBOMHQBINAIG-UHFFFAOYSA-N
MW332.39 g/mol
LogP3.79
Rot. Bonds5

About [1-[2-[(2,5-difluorophenyl)methylamino]phenyl]piperidin-4-yl]methanol

[1-[2-[(2,5-difluorophenyl)methylamino]phenyl]piperidin-4-yl]methanol (PubChem CID 75513043) has the molecular formula C19H22F2N2O and a molecular weight of 332.39 g/mol. Its IUPAC name is [1-[2-[(2,5-difluorophenyl)methylamino]phenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(2,5-difluorophenyl)methylamino]phenyl]piperidin-4-yl]methanol
PubChem CID75513043
Molecular FormulaC19H22F2N2O
Molecular Weight332.39 g/mol
Exact Mass332.17
IUPAC Name[1-[2-[(2,5-difluorophenyl)methylamino]phenyl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ccccc2NCc2cc(F)ccc2F)CC1
InChIInChI=1S/C19H22F2N2O/c20-16-5-6-17(21)15(11-16)12-22-18-3-1-2-4-19(18)23-9-7-14(13-24)8-10-23/h1-6,11,14,22,24H,7-10,12-13H2
InChIKeyVHIBOMHQBINAIG-UHFFFAOYSA-N
XLogP3.79
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[2-[(2,5-difluorophenyl)methylamino]phenyl]piperidin-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[2-[(2-fluoro-5-methylphenyl)methylamino]phenyl]piperidin-4-yl]methanol
CID 110011361
[1-[[2-[(2,4-difluorophenyl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
CID 111976965
[1-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]piperidin-4-yl]methanol
CID 126803823
[1-[2-[(2-methylpyrazol-3-yl)methylamino]phenyl]piperidin-4-yl]methanol
CID 75473179
N-[(2,5-difluorophenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705653
1-[2-[(2,6-difluorophenyl)methylamino]phenyl]piperidin-4-ol
CID 110018792
[1-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]piperidin-4-yl]methanol
CID 110011353
5-fluoro-2-[4-(hydroxymethyl)piperidin-1-yl]benzenecarbothioamide
CID 63673694
2-[4-(hydroxymethyl)piperidin-1-yl]phenol
CID 71530927
[1-(2-ethylphenyl)piperidin-4-yl]methanol
CID 117027933
2-[5-chloro-2-[4-(hydroxymethyl)piperidin-1-yl]anilino]-N-(2-methoxyphenyl)acetamide
CID 71848299
[1-(2-amino-3-fluorophenyl)piperidin-4-yl]methanol
CID 60790060

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(2,5-difluorophenyl)methylamino]phenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-[(2,5-difluorophenyl)methylamino]phenyl]piperidin-4-yl]methanol (CID 75513043) is [1-[2-[(2,5-difluorophenyl)methylamino]phenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-[(2,5-difluorophenyl)methylamino]phenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-[(2,5-difluorophenyl)methylamino]phenyl]piperidin-4-yl]methanol is OCC1CCN(c2ccccc2NCc2cc(F)ccc2F)CC1.
What is the InChIKey of [1-[2-[(2,5-difluorophenyl)methylamino]phenyl]piperidin-4-yl]methanol?
The InChIKey is VHIBOMHQBINAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O/c20-16-5-6-17(21)15(11-16)12-22-18-3-1-2-4-19(18)23-9-7-14(13-24)8-10-23/h1-6,11,14,22,24H,7-10,12-13H2.
What are the key properties of [1-[2-[(2,5-difluorophenyl)methylamino]phenyl]piperidin-4-yl]methanol?
[1-[2-[(2,5-difluorophenyl)methylamino]phenyl]piperidin-4-yl]methanol has a molecular weight of 332.39 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(2,5-difluorophenyl)methylamino]phenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 75513043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).