[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone

C14H18F2N2O — CID 124576206

IUPAC[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CC[C@H](N)C[C@@H]2C)c(F)cc1F
InChIInChI=1S/C14H18F2N2O/c1-8-5-11(13(16)7-12(8)15)14(19)18-4-3-10(17)6-9(18)2/h5,7,9-10H,3-4,6,17H2,1-2H3/t9-,10-/m0/s1
InChIKeyPBMACHWILPIQBN-UWVGGRQHSA-N
MW268.31 g/mol
LogP2.23
Rot. Bonds1

About [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone

[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone (PubChem CID 124576206) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
PubChem CID124576206
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CC[C@H](N)C[C@@H]2C)c(F)cc1F
InChIInChI=1S/C14H18F2N2O/c1-8-5-11(13(16)7-12(8)15)14(19)18-4-3-10(17)6-9(18)2/h5,7,9-10H,3-4,6,17H2,1-2H3/t9-,10-/m0/s1
InChIKeyPBMACHWILPIQBN-UWVGGRQHSA-N
XLogP2.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-(2,4-dichloro-5-fluorophenyl)methanone
CID 124689802
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-dichloro-5-fluorophenyl)methanone
CID 124691606
[(3R)-3-aminopyrrolidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 103805029
[(3S)-3-aminopyrrolidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 103816557
(4-amino-2-methylpiperidin-1-yl)-(2-fluoro-5-nitrophenyl)methanone
CID 115312191
(4-amino-2-methylpiperidin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone
CID 113284360
5-(4-amino-2-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103821481
1-[3-[(2S,4R)-4-amino-2-methylpiperidine-1-carbonyl]-4-fluorophenyl]pyrrolidin-2-one
CID 124694483
(2,5-difluoro-4-methylphenyl)-[(5R)-5-methyl-1,4-thiazepan-4-yl]methanone
CID 99795644
(4-amino-2-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 103821494
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 124576164
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(3,4,5-trifluorophenyl)phenyl]methanone
CID 124690117

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone?
The IUPAC name of [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone (CID 124576206) is [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone.
What is the SMILES notation for [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone?
The canonical SMILES for [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone is Cc1cc(C(=O)N2CC[C@H](N)C[C@@H]2C)c(F)cc1F.
What is the InChIKey of [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone?
The InChIKey is PBMACHWILPIQBN-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-8-5-11(13(16)7-12(8)15)14(19)18-4-3-10(17)6-9(18)2/h5,7,9-10H,3-4,6,17H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone?
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone has a molecular weight of 268.31 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone is sourced from PubChem (CID 124576206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).