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

C13H16ClFN2O — CID 82879192

IUPAC(3-amino-4-methylpiperidin-1-yl)-(3-chloro-4-fluorophenyl)methanone
SMILESCC1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1N
InChIInChI=1S/C13H16ClFN2O/c1-8-4-5-17(7-12(8)16)13(18)9-2-3-11(15)10(14)6-9/h2-3,6,8,12H,4-5,7,16H2,1H3
InChIKeyOJYFIKHEZAOHEZ-UHFFFAOYSA-N
MW270.73 g/mol
LogP2.29
Rot. Bonds1

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

(3-amino-4-methylpiperidin-1-yl)-(3-chloro-4-fluorophenyl)methanone (PubChem CID 82879192) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is (3-amino-4-methylpiperidin-1-yl)-(3-chloro-4-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylpiperidin-1-yl)-(3-chloro-4-fluorophenyl)methanone
PubChem CID82879192
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC Name(3-amino-4-methylpiperidin-1-yl)-(3-chloro-4-fluorophenyl)methanone
SMILESCC1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1N
InChIInChI=1S/C13H16ClFN2O/c1-8-4-5-17(7-12(8)16)13(18)9-2-3-11(15)10(14)6-9/h2-3,6,8,12H,4-5,7,16H2,1H3
InChIKeyOJYFIKHEZAOHEZ-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-amino-4-methylpiperidin-1-yl)-(3-bromo-4-chlorophenyl)methanone
CID 114024781
[3-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-fluorophenyl)methanone
CID 82878692
(3-amino-4-methylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 107672067
(3-chloro-4-fluorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 82875734
(4-chloro-3-fluorophenyl)-(3-chloro-4-methylpiperidin-1-yl)methanone
CID 107994389
1-(3-chloro-4-fluorobenzoyl)-N-methylpyrrolidine-3-carboxamide
CID 91784718
(3-amino-4-methylpyrrolidin-1-yl)-(3,4-difluorophenyl)methanone
CID 103576062
[3-(bromomethyl)pyrrolidin-1-yl]-(3-chloro-4-fluorophenyl)methanone
CID 82880080
2-[1-(3-chloro-4-fluorobenzoyl)pyrrolidin-3-yl]acetic acid
CID 82875827
[3-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-fluorophenyl)methanone
CID 82879665
(4-amino-3-chlorophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954869
(3-amino-4-methylpyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 103576119

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylpiperidin-1-yl)-(3-chloro-4-fluorophenyl)methanone?
The IUPAC name of (3-amino-4-methylpiperidin-1-yl)-(3-chloro-4-fluorophenyl)methanone (CID 82879192) is (3-amino-4-methylpiperidin-1-yl)-(3-chloro-4-fluorophenyl)methanone.
What is the SMILES notation for (3-amino-4-methylpiperidin-1-yl)-(3-chloro-4-fluorophenyl)methanone?
The canonical SMILES for (3-amino-4-methylpiperidin-1-yl)-(3-chloro-4-fluorophenyl)methanone is CC1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1N.
What is the InChIKey of (3-amino-4-methylpiperidin-1-yl)-(3-chloro-4-fluorophenyl)methanone?
The InChIKey is OJYFIKHEZAOHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c1-8-4-5-17(7-12(8)16)13(18)9-2-3-11(15)10(14)6-9/h2-3,6,8,12H,4-5,7,16H2,1H3.
What are the key properties of (3-amino-4-methylpiperidin-1-yl)-(3-chloro-4-fluorophenyl)methanone?
(3-amino-4-methylpiperidin-1-yl)-(3-chloro-4-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 (3-amino-4-methylpiperidin-1-yl)-(3-chloro-4-fluorophenyl)methanone is sourced from PubChem (CID 82879192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).