1-(5-fluoropyrimidin-2-yl)-N-propylpiperidin-4-amine

C12H19FN4 — CID 104605818

IUPAC1-(5-fluoropyrimidin-2-yl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C12H19FN4/c1-2-5-14-11-3-6-17(7-4-11)12-15-8-10(13)9-16-12/h8-9,11,14H,2-7H2,1H3
InChIKeyVPMRLKQIUVRJBI-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.58
Rot. Bonds4

About 1-(5-fluoropyrimidin-2-yl)-N-propylpiperidin-4-amine

1-(5-fluoropyrimidin-2-yl)-N-propylpiperidin-4-amine (PubChem CID 104605818) has the molecular formula C12H19FN4 and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)-N-propylpiperidin-4-amine
PubChem CID104605818
Molecular FormulaC12H19FN4
Molecular Weight238.31 g/mol
Exact Mass238.16
IUPAC Name1-(5-fluoropyrimidin-2-yl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C12H19FN4/c1-2-5-14-11-3-6-17(7-4-11)12-15-8-10(13)9-16-12/h8-9,11,14H,2-7H2,1H3
InChIKeyVPMRLKQIUVRJBI-UHFFFAOYSA-N
XLogP1.58
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-2-pyridinyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 104637888
1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol
CID 103826127
2-[4-(1-bromoethyl)piperidin-1-yl]-5-fluoropyrimidine
CID 106838724
1-(5-tert-butyl-2-pyridinyl)-N-propylpiperidin-4-amine
CID 107874234
1-(4-fluoro-2-iodophenyl)-N-propylpiperidin-4-amine
CID 79766663
1-(3-methyl-2-pyridinyl)-N-propylpiperidin-4-amine
CID 62252971
N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993467
1-(2,3,4,5,6-pentafluorophenyl)-N-propylpyrrolidin-3-amine
CID 115564610
5-fluoro-2-pyrrolidin-1-ylpyrimidine
CID 91819592
1-(2,6-difluorophenyl)-N-propylpyrrolidin-3-amine
CID 43315556
N-propyl-1-(3,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 62809687
4-chloro-1-(5-fluoropyrimidin-2-yl)azepane
CID 130671020

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)-N-propylpiperidin-4-amine?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)-N-propylpiperidin-4-amine (CID 104605818) is 1-(5-fluoropyrimidin-2-yl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)-N-propylpiperidin-4-amine?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)-N-propylpiperidin-4-amine is CCCNC1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)-N-propylpiperidin-4-amine?
The InChIKey is VPMRLKQIUVRJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4/c1-2-5-14-11-3-6-17(7-4-11)12-15-8-10(13)9-16-12/h8-9,11,14H,2-7H2,1H3.
What are the key properties of 1-(5-fluoropyrimidin-2-yl)-N-propylpiperidin-4-amine?
1-(5-fluoropyrimidin-2-yl)-N-propylpiperidin-4-amine has a molecular weight of 238.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 104605818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).