4-[4-(2-fluoroanilino)piperidin-1-yl]butan-1-ol

C15H23FN2O — CID 111496659

IUPAC4-[4-(2-fluoroanilino)piperidin-1-yl]butan-1-ol
SMILESOCCCCN1CCC(Nc2ccccc2F)CC1
InChIInChI=1S/C15H23FN2O/c16-14-5-1-2-6-15(14)17-13-7-10-18(11-8-13)9-3-4-12-19/h1-2,5-6,13,17,19H,3-4,7-12H2
InChIKeyCWNNWORPFOKCCX-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.47
Rot. Bonds6

About 4-[4-(2-fluoroanilino)piperidin-1-yl]butan-1-ol

4-[4-(2-fluoroanilino)piperidin-1-yl]butan-1-ol (PubChem CID 111496659) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-[4-(2-fluoroanilino)piperidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[4-(2-fluoroanilino)piperidin-1-yl]butan-1-ol
PubChem CID111496659
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name4-[4-(2-fluoroanilino)piperidin-1-yl]butan-1-ol
SMILESOCCCCN1CCC(Nc2ccccc2F)CC1
InChIInChI=1S/C15H23FN2O/c16-14-5-1-2-6-15(14)17-13-7-10-18(11-8-13)9-3-4-12-19/h1-2,5-6,13,17,19H,3-4,7-12H2
InChIKeyCWNNWORPFOKCCX-UHFFFAOYSA-N
XLogP2.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]methanol
CID 110009486
3-[4-(2-fluoroanilino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 71986668
N-[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]acetamide
CID 75515001
4-[4-(3-methylanilino)piperidin-1-yl]butan-1-ol
CID 111457378
2-fluoro-6-[(1-propylpiperidin-4-yl)amino]benzenecarbothioamide
CID 79513789
[1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624951
N-[2-(dimethylamino)-2-oxoethyl]-4-(2-fluoroanilino)piperidine-1-carboxamide
CID 71868620
N-(3-fluoro-2-methylphenyl)-1-propylazepan-4-amine
CID 65073245
6-[4-(2-chlorophenyl)piperidin-1-yl]hexan-1-ol
CID 97355587
N-(2-fluorophenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166973
N-(2-fluorophenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 54923773
5-(2-fluoroanilino)pentan-1-ol
CID 62227332

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluoroanilino)piperidin-1-yl]butan-1-ol?
The IUPAC name of 4-[4-(2-fluoroanilino)piperidin-1-yl]butan-1-ol (CID 111496659) is 4-[4-(2-fluoroanilino)piperidin-1-yl]butan-1-ol.
What is the SMILES notation for 4-[4-(2-fluoroanilino)piperidin-1-yl]butan-1-ol?
The canonical SMILES for 4-[4-(2-fluoroanilino)piperidin-1-yl]butan-1-ol is OCCCCN1CCC(Nc2ccccc2F)CC1.
What is the InChIKey of 4-[4-(2-fluoroanilino)piperidin-1-yl]butan-1-ol?
The InChIKey is CWNNWORPFOKCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c16-14-5-1-2-6-15(14)17-13-7-10-18(11-8-13)9-3-4-12-19/h1-2,5-6,13,17,19H,3-4,7-12H2.
What are the key properties of 4-[4-(2-fluoroanilino)piperidin-1-yl]butan-1-ol?
4-[4-(2-fluoroanilino)piperidin-1-yl]butan-1-ol has a molecular weight of 266.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluoroanilino)piperidin-1-yl]butan-1-ol is sourced from PubChem (CID 111496659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).