(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone

C13H17FN2O — CID 62535610

IUPAC(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H17FN2O/c1-15-12-3-2-8-16(9-12)13(17)10-4-6-11(14)7-5-10/h4-7,12,15H,2-3,8-9H2,1H3
InChIKeyNDYWQMFEQPCZMN-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.65
Rot. Bonds2

About (4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone

(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 62535610) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID62535610
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H17FN2O/c1-15-12-3-2-8-16(9-12)13(17)10-4-6-11(14)7-5-10/h4-7,12,15H,2-3,8-9H2,1H3
InChIKeyNDYWQMFEQPCZMN-UHFFFAOYSA-N
XLogP1.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
(4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413852
4-fluoro-N-[1-(4-fluorobenzoyl)piperidin-3-yl]benzamide
CID 11450767
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
1-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 119490960
4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile
CID 62534463
(4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487583
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
[(3R)-3-(methylamino)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 124575485
[3-(methylamino)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone
CID 119491013
[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 171357957
(5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 113265528

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone (CID 62535610) is (4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is NDYWQMFEQPCZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-15-12-3-2-8-16(9-12)13(17)10-4-6-11(14)7-5-10/h4-7,12,15H,2-3,8-9H2,1H3.
What are the key properties of (4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone?
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 236.29 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 62535610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).