(4-amino-3-methylpiperidin-1-yl)-(3-chloro-2-fluorophenyl)methanone

C13H16ClFN2O — CID 81266324

IUPAC(4-amino-3-methylpiperidin-1-yl)-(3-chloro-2-fluorophenyl)methanone
SMILESCC1CN(C(=O)c2cccc(Cl)c2F)CCC1N
InChIInChI=1S/C13H16ClFN2O/c1-8-7-17(6-5-11(8)16)13(18)9-3-2-4-10(14)12(9)15/h2-4,8,11H,5-7,16H2,1H3
InChIKeyGETGMRWLLPYVST-UHFFFAOYSA-N
MW270.73 g/mol
LogP2.29
Rot. Bonds1

About (4-amino-3-methylpiperidin-1-yl)-(3-chloro-2-fluorophenyl)methanone

(4-amino-3-methylpiperidin-1-yl)-(3-chloro-2-fluorophenyl)methanone (PubChem CID 81266324) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is (4-amino-3-methylpiperidin-1-yl)-(3-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-amino-3-methylpiperidin-1-yl)-(3-chloro-2-fluorophenyl)methanone
PubChem CID81266324
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC Name(4-amino-3-methylpiperidin-1-yl)-(3-chloro-2-fluorophenyl)methanone
SMILESCC1CN(C(=O)c2cccc(Cl)c2F)CCC1N
InChIInChI=1S/C13H16ClFN2O/c1-8-7-17(6-5-11(8)16)13(18)9-3-2-4-10(14)12(9)15/h2-4,8,11H,5-7,16H2,1H3
InChIKeyGETGMRWLLPYVST-UHFFFAOYSA-N
XLogP2.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 81264813
[(3aS,4R,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3-chloro-2-fluorophenyl)methanone
CID 99823408
(3S,4S)-1-(3-chloro-2-fluorobenzoyl)-4-methylpyrrolidine-3-carboxamide
CID 128984224
1-(3-chloro-2-fluorobenzoyl)piperidine-3-carboxylic acid
CID 81266012
(4-amino-3-methylpiperidin-1-yl)-(2-bromo-3-methylphenyl)methanone
CID 114023943
(4-amino-3-methylpiperidin-1-yl)-(2-methylsulfanylphenyl)methanone;hydrochloride
CID 119592341
(3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 81265224
azepan-1-yl-(3-chloro-2-fluorophenyl)methanone
CID 80949460
(4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone
CID 115737432
(4-amino-3-methylpiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119592557
(4-amino-3-methylpiperidin-1-yl)-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 119592562
(4-amino-3-methylpiperidin-1-yl)-(1H-indol-7-yl)methanone
CID 79879645

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(3-chloro-2-fluorophenyl)methanone?
The IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(3-chloro-2-fluorophenyl)methanone (CID 81266324) is (4-amino-3-methylpiperidin-1-yl)-(3-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for (4-amino-3-methylpiperidin-1-yl)-(3-chloro-2-fluorophenyl)methanone?
The canonical SMILES for (4-amino-3-methylpiperidin-1-yl)-(3-chloro-2-fluorophenyl)methanone is CC1CN(C(=O)c2cccc(Cl)c2F)CCC1N.
What is the InChIKey of (4-amino-3-methylpiperidin-1-yl)-(3-chloro-2-fluorophenyl)methanone?
The InChIKey is GETGMRWLLPYVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c1-8-7-17(6-5-11(8)16)13(18)9-3-2-4-10(14)12(9)15/h2-4,8,11H,5-7,16H2,1H3.
What are the key properties of (4-amino-3-methylpiperidin-1-yl)-(3-chloro-2-fluorophenyl)methanone?
(4-amino-3-methylpiperidin-1-yl)-(3-chloro-2-fluorophenyl)methanone has a molecular weight of 270.73 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylpiperidin-1-yl)-(3-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 81266324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).