(3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone

C13H17FN2O — CID 61297571

IUPAC(3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC(N)C2)cc1F
InChIInChI=1S/C13H17FN2O/c1-9-4-5-10(7-12(9)14)13(17)16-6-2-3-11(15)8-16/h4-5,7,11H,2-3,6,8,15H2,1H3
InChIKeyQSQFMXMPZNRLNR-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.70
Rot. Bonds1

About (3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone

(3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone (PubChem CID 61297571) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
PubChem CID61297571
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name(3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC(N)C2)cc1F
InChIInChI=1S/C13H17FN2O/c1-9-4-5-10(7-12(9)14)13(17)16-6-2-3-11(15)8-16/h4-5,7,11H,2-3,6,8,15H2,1H3
InChIKeyQSQFMXMPZNRLNR-UHFFFAOYSA-N
XLogP1.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443
(3-chloropiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 63393138
(4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119374600
1-(3-fluoro-4-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041999
(3-aminopiperidin-1-yl)-(4-methyl-3-methylsulfonylphenyl)methanone;hydrochloride
CID 119378692
(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262037
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 102978340
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 119412532
(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089
(4-bromo-3-methylpiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 114683526
(3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106752260
[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 63767469

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone (CID 61297571) is (3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCCC(N)C2)cc1F.
What is the InChIKey of (3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone?
The InChIKey is QSQFMXMPZNRLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-4-5-10(7-12(9)14)13(17)16-6-2-3-11(15)8-16/h4-5,7,11H,2-3,6,8,15H2,1H3.
What are the key properties of (3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone?
(3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone has a molecular weight of 236.29 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 61297571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).