N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine

C19H25FN4O — CID 155974679

IUPACN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine
SMILESCOc1ccc(CN2CCCC(N(C)c3ncc(C)cn3)C2)cc1F
InChIInChI=1S/C19H25FN4O/c1-14-10-21-19(22-11-14)23(2)16-5-4-8-24(13-16)12-15-6-7-18(25-3)17(20)9-15/h6-7,9-11,16H,4-5,8,12-13H2,1-3H3
InChIKeyGIZCXXQFPUJJDH-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.03
Rot. Bonds5

About N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine

N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine (PubChem CID 155974679) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine
PubChem CID155974679
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC NameN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine
SMILESCOc1ccc(CN2CCCC(N(C)c3ncc(C)cn3)C2)cc1F
InChIInChI=1S/C19H25FN4O/c1-14-10-21-19(22-11-14)23(2)16-5-4-8-24(13-16)12-15-6-7-18(25-3)17(20)9-15/h6-7,9-11,16H,4-5,8,12-13H2,1-3H3
InChIKeyGIZCXXQFPUJJDH-UHFFFAOYSA-N
XLogP3.03
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[(3-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 97314808
N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-N-methylpyrimidin-2-amine
CID 171995780
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
N-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-6-methoxy-N-methylpyrimidin-4-amine
CID 171999445
N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine
CID 155980410
2-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]pyrazine
CID 163356836
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845792
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide
CID 171334193
(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine
CID 51635760
(4S)-N-[(4-aminopyrimidin-2-yl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylazepan-4-amine
CID 129335843
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328544
4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine
CID 51074764

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine?
The IUPAC name of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine (CID 155974679) is N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine is COc1ccc(CN2CCCC(N(C)c3ncc(C)cn3)C2)cc1F.
What is the InChIKey of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine?
The InChIKey is GIZCXXQFPUJJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-14-10-21-19(22-11-14)23(2)16-5-4-8-24(13-16)12-15-6-7-18(25-3)17(20)9-15/h6-7,9-11,16H,4-5,8,12-13H2,1-3H3.
What are the key properties of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine?
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine has a molecular weight of 344.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 155974679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).