(2-amino-4-fluorophenyl)-piperidin-4-ylmethanone

C12H15FN2O — CID 105479129

IUPAC(2-amino-4-fluorophenyl)-piperidin-4-ylmethanone
SMILESNc1cc(F)ccc1C(=O)C1CCNCC1
InChIInChI=1S/C12H15FN2O/c13-9-1-2-10(11(14)7-9)12(16)8-3-5-15-6-4-8/h1-2,7-8,15H,3-6,14H2
InChIKeyKKBBVNNTOMNXFQ-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.59
Rot. Bonds2

About (2-amino-4-fluorophenyl)-piperidin-4-ylmethanone

(2-amino-4-fluorophenyl)-piperidin-4-ylmethanone (PubChem CID 105479129) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is (2-amino-4-fluorophenyl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(2-amino-4-fluorophenyl)-piperidin-4-ylmethanone
PubChem CID105479129
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name(2-amino-4-fluorophenyl)-piperidin-4-ylmethanone
SMILESNc1cc(F)ccc1C(=O)C1CCNCC1
InChIInChI=1S/C12H15FN2O/c13-9-1-2-10(11(14)7-9)12(16)8-3-5-15-6-4-8/h1-2,7-8,15H,3-6,14H2
InChIKeyKKBBVNNTOMNXFQ-UHFFFAOYSA-N
XLogP1.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.59
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

(2-chloro-5-fluorophenyl)-piperidin-4-ylmethanone;hydrochloride
CID 90039264
N-(2-amino-5-fluorophenyl)piperidine-4-carboxamide
CID 110482325
(2,4-difluorophenyl)-piperidin-3-ylmethanone
CID 24689284
(4-amino-3-pyridinyl)-piperidin-4-ylmethanone
CID 116547555
5-fluoro-2-piperidin-4-ylaniline
CID 117103758
(6-fluoro-1H-indol-3-yl)-pyrrolidin-3-ylmethanone
CID 84695539
(5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone
CID 116916892
cyclopropyl-(5-fluoro-2-hydroxyphenyl)methanone
CID 62379019
(2-amino-4-bromophenyl)-cyclopentylmethanone
CID 116591688
cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
CID 118170789
4-fluoro-2-(piperidine-4-carbonylamino)benzoic acid
CID 61157573
(2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 105494724

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-fluorophenyl)-piperidin-4-ylmethanone?
The IUPAC name of (2-amino-4-fluorophenyl)-piperidin-4-ylmethanone (CID 105479129) is (2-amino-4-fluorophenyl)-piperidin-4-ylmethanone.
What is the SMILES notation for (2-amino-4-fluorophenyl)-piperidin-4-ylmethanone?
The canonical SMILES for (2-amino-4-fluorophenyl)-piperidin-4-ylmethanone is Nc1cc(F)ccc1C(=O)C1CCNCC1.
What is the InChIKey of (2-amino-4-fluorophenyl)-piperidin-4-ylmethanone?
The InChIKey is KKBBVNNTOMNXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-9-1-2-10(11(14)7-9)12(16)8-3-5-15-6-4-8/h1-2,7-8,15H,3-6,14H2.
What are the key properties of (2-amino-4-fluorophenyl)-piperidin-4-ylmethanone?
(2-amino-4-fluorophenyl)-piperidin-4-ylmethanone has a molecular weight of 222.26 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-fluorophenyl)-piperidin-4-ylmethanone is sourced from PubChem (CID 105479129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).