[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,5-difluorophenyl)methanone

C14H18F2N2O — CID 95357640

IUPAC[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,5-difluorophenyl)methanone
SMILESC[C@@H]1CCCN(C(=O)c2cc(F)ccc2F)[C@H]1CN
InChIInChI=1S/C14H18F2N2O/c1-9-3-2-6-18(13(9)8-17)14(19)11-7-10(15)4-5-12(11)16/h4-5,7,9,13H,2-3,6,8,17H2,1H3/t9-,13+/m1/s1
InChIKeyOSDXEUJCPNFJAT-RNCFNFMXSA-N
MW268.31 g/mol
LogP2.16
Rot. Bonds2

About [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,5-difluorophenyl)methanone

[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,5-difluorophenyl)methanone (PubChem CID 95357640) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,5-difluorophenyl)methanone.

Molecular Properties

Compound Name[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,5-difluorophenyl)methanone
PubChem CID95357640
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,5-difluorophenyl)methanone
SMILESC[C@@H]1CCCN(C(=O)c2cc(F)ccc2F)[C@H]1CN
InChIInChI=1S/C14H18F2N2O/c1-9-3-2-6-18(13(9)8-17)14(19)11-7-10(15)4-5-12(11)16/h4-5,7,9,13H,2-3,6,8,17H2,1H3/t9-,13+/m1/s1
InChIKeyOSDXEUJCPNFJAT-RNCFNFMXSA-N
XLogP2.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)-3-methylpiperidin-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119597323
[2-(aminomethyl)pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone;hydrochloride
CID 119631884
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 124576164
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 95357692
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 95357690
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 86777596
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64950110
[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-chloro-3-fluorophenyl)methanone
CID 124603271
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 95357681
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-bromophenyl)methanone
CID 95357666
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone
CID 65462245
[2-(aminomethyl)-3-methylpiperidin-1-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119597192

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,5-difluorophenyl)methanone?
The IUPAC name of [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,5-difluorophenyl)methanone (CID 95357640) is [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,5-difluorophenyl)methanone.
What is the SMILES notation for [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,5-difluorophenyl)methanone?
The canonical SMILES for [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,5-difluorophenyl)methanone is C[C@@H]1CCCN(C(=O)c2cc(F)ccc2F)[C@H]1CN.
What is the InChIKey of [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,5-difluorophenyl)methanone?
The InChIKey is OSDXEUJCPNFJAT-RNCFNFMXSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-9-3-2-6-18(13(9)8-17)14(19)11-7-10(15)4-5-12(11)16/h4-5,7,9,13H,2-3,6,8,17H2,1H3/t9-,13+/m1/s1.
What are the key properties of [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,5-difluorophenyl)methanone?
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,5-difluorophenyl)methanone has a molecular weight of 268.31 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,5-difluorophenyl)methanone is sourced from PubChem (CID 95357640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).