N-[[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine

C14H23FN4 — CID 104606621

IUPACN-[[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCN(c2ncc(F)cn2)C1
InChIInChI=1S/C14H23FN4/c1-11(2)6-16-7-12-4-3-5-19(10-12)14-17-8-13(15)9-18-14/h8-9,11-12,16H,3-7,10H2,1-2H3
InChIKeyQNOWVBRZYQSAMR-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.08
Rot. Bonds5

About N-[[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine

N-[[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 104606621) has the molecular formula C14H23FN4 and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID104606621
Molecular FormulaC14H23FN4
Molecular Weight266.36 g/mol
Exact Mass266.19
IUPAC NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCN(c2ncc(F)cn2)C1
InChIInChI=1S/C14H23FN4/c1-11(2)6-16-7-12-4-3-5-19(10-12)14-17-8-13(15)9-18-14/h8-9,11-12,16H,3-7,10H2,1-2H3
InChIKeyQNOWVBRZYQSAMR-UHFFFAOYSA-N
XLogP2.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 79734168
N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62587609
N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 114787661
2-methyl-N-[[1-(5-methylpyridazin-3-yl)piperidin-3-yl]methyl]propan-1-amine
CID 106550557
2-methyl-N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methyl]propan-1-amine
CID 106973651
N-[[1-(1-ethylimidazol-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62587780
3-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]propanoic acid
CID 104605891
2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-1-amine
CID 62587427
[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methanesulfonamide
CID 154736534
5-fluoro-2-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]pyrimidine
CID 125135597
5-fluoro-2-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]pyrimidine
CID 125135600
N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine
CID 112676134

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine (CID 104606621) is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCN(c2ncc(F)cn2)C1.
What is the InChIKey of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is QNOWVBRZYQSAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4/c1-11(2)6-16-7-12-4-3-5-19(10-12)14-17-8-13(15)9-18-14/h8-9,11-12,16H,3-7,10H2,1-2H3.
What are the key properties of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 266.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 104606621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).