[(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone

C18H21FN4O — CID 129025881

IUPAC[(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone
SMILESC[C@@H]1CCCN(C(=O)c2c(F)cccc2-c2ncccn2)C1CN
InChIInChI=1S/C18H21FN4O/c1-12-5-3-10-23(15(12)11-20)18(24)16-13(6-2-7-14(16)19)17-21-8-4-9-22-17/h2,4,6-9,12,15H,3,5,10-11,20H2,1H3/t12-,15?/m1/s1
InChIKeyJPCAMFKVRWVPIB-KEKZHRQWSA-N
MW328.39 g/mol
LogP2.48
Rot. Bonds3

About [(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone

[(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone (PubChem CID 129025881) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is [(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone.

Molecular Properties

Compound Name[(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone
PubChem CID129025881
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name[(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone
SMILESC[C@@H]1CCCN(C(=O)c2c(F)cccc2-c2ncccn2)C1CN
InChIInChI=1S/C18H21FN4O/c1-12-5-3-10-23(15(12)11-20)18(24)16-13(6-2-7-14(16)19)17-21-8-4-9-22-17/h2,4,6-9,12,15H,3,5,10-11,20H2,1H3/t12-,15?/m1/s1
InChIKeyJPCAMFKVRWVPIB-KEKZHRQWSA-N
XLogP2.48
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,3R)-2-[2-(5-chloropyrimidin-2-yl)ethyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone
CID 158067379
[(2R,3R)-2-[2-(5-chloro-2-pyridinyl)ethyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone
CID 158023812
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,6-difluorophenyl)methanone
CID 102783511
[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-chloro-3-fluorophenyl)methanone
CID 124603271
[(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-fluoro-4-pyridinyl)methanone
CID 64950110
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 86777596
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 95357681
(2,3-difluoro-6-pyrimidin-2-ylphenyl)-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone
CID 149209874
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,5-difluorophenyl)methanone
CID 95357640
3-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide;hydrochloride
CID 119597231

Frequently Asked Questions

What is the IUPAC name of [(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone?
The IUPAC name of [(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone (CID 129025881) is [(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone.
What is the SMILES notation for [(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone?
The canonical SMILES for [(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone is C[C@@H]1CCCN(C(=O)c2c(F)cccc2-c2ncccn2)C1CN.
What is the InChIKey of [(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone?
The InChIKey is JPCAMFKVRWVPIB-KEKZHRQWSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-12-5-3-10-23(15(12)11-20)18(24)16-13(6-2-7-14(16)19)17-21-8-4-9-22-17/h2,4,6-9,12,15H,3,5,10-11,20H2,1H3/t12-,15?/m1/s1.
What are the key properties of [(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone?
[(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone has a molecular weight of 328.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone is sourced from PubChem (CID 129025881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).