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

C13H21FN4 — CID 104605826

IUPACN-ethyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanamine
SMILESCCNC(C)C1CCCCN1c1ncc(F)cn1
InChIInChI=1S/C13H21FN4/c1-3-15-10(2)12-6-4-5-7-18(12)13-16-8-11(14)9-17-13/h8-10,12,15H,3-7H2,1-2H3
InChIKeyBLCARAAKFYLDNM-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.97
Rot. Bonds4

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

N-ethyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanamine (PubChem CID 104605826) has the molecular formula C13H21FN4 and a molecular weight of 252.34 g/mol. Its IUPAC name is N-ethyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanamine
PubChem CID104605826
Molecular FormulaC13H21FN4
Molecular Weight252.34 g/mol
Exact Mass252.18
IUPAC NameN-ethyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanamine
SMILESCCNC(C)C1CCCCN1c1ncc(F)cn1
InChIInChI=1S/C13H21FN4/c1-3-15-10(2)12-6-4-5-7-18(12)13-16-8-11(14)9-17-13/h8-10,12,15H,3-7H2,1-2H3
InChIKeyBLCARAAKFYLDNM-UHFFFAOYSA-N
XLogP1.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine
CID 104605827
N-ethyl-1-(1-pyrimidin-2-ylpiperidin-2-yl)ethanamine
CID 63854921
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methyl]propan-2-amine
CID 104606614
N-ethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanamine
CID 63854935
1-ethyl-3-[2-[1-(ethylamino)ethyl]piperidin-1-yl]pyrazin-2-one
CID 63854758
4-[2-[1-(ethylamino)ethyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63855097
N-ethyl-1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)ethanamine
CID 104729255
[(2R)-1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methanol
CID 97169521
N-[1-[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine
CID 63855102
N-ethyl-1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanamine
CID 104729254
1-[1-(5-methylpyrimidin-2-yl)piperidin-2-yl]ethanamine
CID 63255605
N-[1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-2-yl]ethyl]propan-1-amine
CID 65418172

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanamine (CID 104605826) is N-ethyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanamine is CCNC(C)C1CCCCN1c1ncc(F)cn1.
What is the InChIKey of N-ethyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanamine?
The InChIKey is BLCARAAKFYLDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4/c1-3-15-10(2)12-6-4-5-7-18(12)13-16-8-11(14)9-17-13/h8-10,12,15H,3-7H2,1-2H3.
What are the key properties of N-ethyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanamine?
N-ethyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanamine has a molecular weight of 252.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 104605826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).