[2-[(1-benzylpiperidin-4-yl)amino]-6-fluorophenyl]methanol

C19H23FN2O — CID 19031041

IUPAC[2-[(1-benzylpiperidin-4-yl)amino]-6-fluorophenyl]methanol
SMILESOCc1c(F)cccc1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H23FN2O/c20-18-7-4-8-19(17(18)14-23)21-16-9-11-22(12-10-16)13-15-5-2-1-3-6-15/h1-8,16,21,23H,9-14H2
InChIKeyZDRSVSZMVHNWGP-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.39
Rot. Bonds5

About [2-[(1-benzylpiperidin-4-yl)amino]-6-fluorophenyl]methanol

[2-[(1-benzylpiperidin-4-yl)amino]-6-fluorophenyl]methanol (PubChem CID 19031041) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is [2-[(1-benzylpiperidin-4-yl)amino]-6-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-[(1-benzylpiperidin-4-yl)amino]-6-fluorophenyl]methanol
PubChem CID19031041
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name[2-[(1-benzylpiperidin-4-yl)amino]-6-fluorophenyl]methanol
SMILESOCc1c(F)cccc1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H23FN2O/c20-18-7-4-8-19(17(18)14-23)21-16-9-11-22(12-10-16)13-15-5-2-1-3-6-15/h1-8,16,21,23H,9-14H2
InChIKeyZDRSVSZMVHNWGP-UHFFFAOYSA-N
XLogP3.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 295953
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1-(4-Fluorophenyl)-2-[4-(2-fluorophenyl)piperazino]-1-ethanol
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(1S,2R)-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)-3-(methylamino)propan-2-ol
CID 24764464
(1S,2R)-1-(methyl(o-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
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(R,S/S,R)-syn-1-((4-fluorophenyl)(methyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 44574739
(R,S/S,R)-syn-3-amino-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)propan-2-ol
CID 44574883
1-(4-Fluoro-phenyl)-3-[1-(4-nitro-2-trifluoromethyl-phenyl)-piperidin-4-ylamino]-propan-1-ol
CID 81689818
(2-(4-Methylpiperazin-1-yl)phenyl)methanol
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[2-(Phenylamino)phenyl]methanol
CID 12682595
2-({[2-(Morpholin-4-yl)phenyl]methyl}amino)-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
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2-[[4-(Diethylamino)phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 2983160

Frequently Asked Questions

What is the IUPAC name of [2-[(1-benzylpiperidin-4-yl)amino]-6-fluorophenyl]methanol?
The IUPAC name of [2-[(1-benzylpiperidin-4-yl)amino]-6-fluorophenyl]methanol (CID 19031041) is [2-[(1-benzylpiperidin-4-yl)amino]-6-fluorophenyl]methanol.
What is the SMILES notation for [2-[(1-benzylpiperidin-4-yl)amino]-6-fluorophenyl]methanol?
The canonical SMILES for [2-[(1-benzylpiperidin-4-yl)amino]-6-fluorophenyl]methanol is OCc1c(F)cccc1NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of [2-[(1-benzylpiperidin-4-yl)amino]-6-fluorophenyl]methanol?
The InChIKey is ZDRSVSZMVHNWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c20-18-7-4-8-19(17(18)14-23)21-16-9-11-22(12-10-16)13-15-5-2-1-3-6-15/h1-8,16,21,23H,9-14H2.
What are the key properties of [2-[(1-benzylpiperidin-4-yl)amino]-6-fluorophenyl]methanol?
[2-[(1-benzylpiperidin-4-yl)amino]-6-fluorophenyl]methanol has a molecular weight of 314.40 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-benzylpiperidin-4-yl)amino]-6-fluorophenyl]methanol is sourced from PubChem (CID 19031041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).