N-[1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine

C14H23FN4 — CID 104605827

IUPACN-[1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCCN1c1ncc(F)cn1
InChIInChI=1S/C14H23FN4/c1-3-7-16-11(2)13-6-4-5-8-19(13)14-17-9-12(15)10-18-14/h9-11,13,16H,3-8H2,1-2H3
InChIKeyMIZGPEHQHIPJSV-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.36
Rot. Bonds5

About N-[1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine

N-[1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine (PubChem CID 104605827) has the molecular formula C14H23FN4 and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine
PubChem CID104605827
Molecular FormulaC14H23FN4
Molecular Weight266.36 g/mol
Exact Mass266.19
IUPAC NameN-[1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCCN1c1ncc(F)cn1
InChIInChI=1S/C14H23FN4/c1-3-7-16-11(2)13-6-4-5-8-19(13)14-17-9-12(15)10-18-14/h9-11,13,16H,3-8H2,1-2H3
InChIKeyMIZGPEHQHIPJSV-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanamine
CID 104605826
N-[1-[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine
CID 63855102
N-[1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-2-yl]ethyl]propan-1-amine
CID 65418172
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methyl]propan-2-amine
CID 104606614
N-ethyl-1-(1-pyrimidin-2-ylpiperidin-2-yl)ethanamine
CID 63854921
N-[1-[1-(6-methoxy-2-pyridinyl)piperidin-2-yl]ethyl]propan-1-amine
CID 63855261
N-[1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 55256480
N-[1-[1-(cyclopentylmethyl)piperidin-2-yl]ethyl]propan-1-amine
CID 63854878
1-[2-[1-(propylamino)ethyl]piperidin-1-yl]butan-2-ol
CID 63853660
N-[1-[1-(2-methylbutyl)piperidin-2-yl]ethyl]propan-1-amine
CID 55256667
[(2R)-1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methanol
CID 97169521
N-[1-(1-hexylpiperidin-2-yl)ethyl]propan-1-amine
CID 63853121

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine (CID 104605827) is N-[1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine is CCCNC(C)C1CCCCN1c1ncc(F)cn1.
What is the InChIKey of N-[1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine?
The InChIKey is MIZGPEHQHIPJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4/c1-3-7-16-11(2)13-6-4-5-8-19(13)14-17-9-12(15)10-18-14/h9-11,13,16H,3-8H2,1-2H3.
What are the key properties of N-[1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine?
N-[1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine has a molecular weight of 266.36 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 104605827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).