N-[[1-(3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]cyclopropanamine

C14H20FN3 — CID 62734943

IUPACN-[[1-(3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]cyclopropanamine
SMILESFc1cccnc1N1CCCCC1CNC1CC1
InChIInChI=1S/C14H20FN3/c15-13-5-3-8-16-14(13)18-9-2-1-4-12(18)10-17-11-6-7-11/h3,5,8,11-12,17H,1-2,4,6-7,9-10H2
InChIKeyVPVJGIRJXZHJQN-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.33
Rot. Bonds4

About N-[[1-(3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]cyclopropanamine

N-[[1-(3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]cyclopropanamine (PubChem CID 62734943) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is N-[[1-(3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]cyclopropanamine
PubChem CID62734943
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC NameN-[[1-(3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]cyclopropanamine
SMILESFc1cccnc1N1CCCCC1CNC1CC1
InChIInChI=1S/C14H20FN3/c15-13-5-3-8-16-14(13)18-9-2-1-4-12(18)10-17-11-6-7-11/h3,5,8,11-12,17H,1-2,4,6-7,9-10H2
InChIKeyVPVJGIRJXZHJQN-UHFFFAOYSA-N
XLogP2.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62734377
N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-2-yl)methyl]cyclopropanamine
CID 106535594
N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]methyl]cyclopropanamine
CID 64585888
N-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 62831889
N-[(1-quinazolin-4-ylpyrrolidin-2-yl)methyl]cyclopropanamine
CID 62591283
2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyridin-3-ol
CID 97169524
N-[[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 66325720
1-tert-butyl-3-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one
CID 62929060
3-bromo-2-[2-(2-bromoethyl)piperidin-1-yl]pyridine
CID 80662154
[1-(3-amino-2-pyridinyl)piperidin-2-yl]methanol
CID 61406906
[1-(3-chloro-2-pyridinyl)azepan-2-yl]methanamine
CID 116640243
1-[2-(2-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylethanamine
CID 114055804

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]cyclopropanamine (CID 62734943) is N-[[1-(3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]cyclopropanamine is Fc1cccnc1N1CCCCC1CNC1CC1.
What is the InChIKey of N-[[1-(3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]cyclopropanamine?
The InChIKey is VPVJGIRJXZHJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c15-13-5-3-8-16-14(13)18-9-2-1-4-12(18)10-17-11-6-7-11/h3,5,8,11-12,17H,1-2,4,6-7,9-10H2.
What are the key properties of N-[[1-(3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]cyclopropanamine?
N-[[1-(3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]cyclopropanamine has a molecular weight of 249.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62734943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).