(4-amino-3-fluorophenyl)-(1-benzylpiperidin-4-yl)methanol

C19H23FN2O — CID 123901563

IUPAC(4-amino-3-fluorophenyl)-(1-benzylpiperidin-4-yl)methanol
SMILESNc1ccc(C(O)C2CCN(Cc3ccccc3)CC2)cc1F
InChIInChI=1S/C19H23FN2O/c20-17-12-16(6-7-18(17)21)19(23)15-8-10-22(11-9-15)13-14-4-2-1-3-5-14/h1-7,12,15,19,23H,8-11,13,21H2
InChIKeyYIDUUWSJPBDJBY-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.35
Rot. Bonds4

About (4-amino-3-fluorophenyl)-(1-benzylpiperidin-4-yl)methanol

(4-amino-3-fluorophenyl)-(1-benzylpiperidin-4-yl)methanol (PubChem CID 123901563) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is (4-amino-3-fluorophenyl)-(1-benzylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name(4-amino-3-fluorophenyl)-(1-benzylpiperidin-4-yl)methanol
PubChem CID123901563
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name(4-amino-3-fluorophenyl)-(1-benzylpiperidin-4-yl)methanol
SMILESNc1ccc(C(O)C2CCN(Cc3ccccc3)CC2)cc1F
InChIInChI=1S/C19H23FN2O/c20-17-12-16(6-7-18(17)21)19(23)15-8-10-22(11-9-15)13-14-4-2-1-3-5-14/h1-7,12,15,19,23H,8-11,13,21H2
InChIKeyYIDUUWSJPBDJBY-UHFFFAOYSA-N
XLogP3.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-amino-1-(1-benzylpiperidin-4-yl)ethanol
CID 96813761
3-[[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzoic acid
CID 122028578
4-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzonitrile
CID 33349056
phenyl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 55625829
(4-fluorophenyl)-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]methanol
CID 110170343
2-chloro-4-[[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methyl]benzoic acid
CID 136550473
phenyl-[1-[(3-pyridin-4-ylphenyl)methyl]piperidin-4-yl]methanol
CID 75438511
2-(1-benzylpiperidin-4-yl)-2-fluoroacetic acid
CID 81357739
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770
(1-benzylpiperidin-4-yl)-[1-[[2-(2-fluorophenyl)phenyl]methyl]pyrrol-2-yl]methanol
CID 21280338
(2S)-2-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)acetonitrile
CID 129394599
2-[[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methyl]benzoic acid
CID 136550477

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-fluorophenyl)-(1-benzylpiperidin-4-yl)methanol?
The IUPAC name of (4-amino-3-fluorophenyl)-(1-benzylpiperidin-4-yl)methanol (CID 123901563) is (4-amino-3-fluorophenyl)-(1-benzylpiperidin-4-yl)methanol.
What is the SMILES notation for (4-amino-3-fluorophenyl)-(1-benzylpiperidin-4-yl)methanol?
The canonical SMILES for (4-amino-3-fluorophenyl)-(1-benzylpiperidin-4-yl)methanol is Nc1ccc(C(O)C2CCN(Cc3ccccc3)CC2)cc1F.
What is the InChIKey of (4-amino-3-fluorophenyl)-(1-benzylpiperidin-4-yl)methanol?
The InChIKey is YIDUUWSJPBDJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c20-17-12-16(6-7-18(17)21)19(23)15-8-10-22(11-9-15)13-14-4-2-1-3-5-14/h1-7,12,15,19,23H,8-11,13,21H2.
What are the key properties of (4-amino-3-fluorophenyl)-(1-benzylpiperidin-4-yl)methanol?
(4-amino-3-fluorophenyl)-(1-benzylpiperidin-4-yl)methanol has a molecular weight of 314.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-fluorophenyl)-(1-benzylpiperidin-4-yl)methanol is sourced from PubChem (CID 123901563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).