[1-(3-fluoropropyl)piperidin-3-yl]methanamine

C9H19FN2 — CID 81107283

IUPAC[1-(3-fluoropropyl)piperidin-3-yl]methanamine
SMILESNCC1CCCN(CCCF)C1
InChIInChI=1S/C9H19FN2/c10-4-2-6-12-5-1-3-9(7-11)8-12/h9H,1-8,11H2
InChIKeyXUBUSNUBSBOLSB-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.02
Rot. Bonds4

About [1-(3-fluoropropyl)piperidin-3-yl]methanamine

[1-(3-fluoropropyl)piperidin-3-yl]methanamine (PubChem CID 81107283) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is [1-(3-fluoropropyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(3-fluoropropyl)piperidin-3-yl]methanamine
PubChem CID81107283
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name[1-(3-fluoropropyl)piperidin-3-yl]methanamine
SMILESNCC1CCCN(CCCF)C1
InChIInChI=1S/C9H19FN2/c10-4-2-6-12-5-1-3-9(7-11)8-12/h9H,1-8,11H2
InChIKeyXUBUSNUBSBOLSB-UHFFFAOYSA-N
XLogP1.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(aminomethyl)piperidin-1-yl]ethanethiol
CID 84655015
[1-(4-methoxybutyl)piperidin-3-yl]methanamine
CID 112702061
[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine
CID 61493085
1-(3-fluoropropyl)-3-methylpiperidine
CID 127497514
2-[3-(aminomethyl)piperidin-1-yl]ethanesulfonamide
CID 114385443
[(3R)-1-ethylpiperidin-3-yl]methanamine
CID 7200431
2-[1-(2-fluoroethyl)piperidin-3-yl]ethanamine
CID 80695268
[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methanamine
CID 42253697
[(3S)-1-butylpyrrolidin-3-yl]methanamine
CID 42257234
[1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanamine
CID 156595342
[1-(2,2-difluoropropyl)piperidin-3-yl]methanamine
CID 84664103
1-(3-fluoropropyl)piperidine-3-carbaldehyde
CID 81114403

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoropropyl)piperidin-3-yl]methanamine?
The IUPAC name of [1-(3-fluoropropyl)piperidin-3-yl]methanamine (CID 81107283) is [1-(3-fluoropropyl)piperidin-3-yl]methanamine.
What is the SMILES notation for [1-(3-fluoropropyl)piperidin-3-yl]methanamine?
The canonical SMILES for [1-(3-fluoropropyl)piperidin-3-yl]methanamine is NCC1CCCN(CCCF)C1.
What is the InChIKey of [1-(3-fluoropropyl)piperidin-3-yl]methanamine?
The InChIKey is XUBUSNUBSBOLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c10-4-2-6-12-5-1-3-9(7-11)8-12/h9H,1-8,11H2.
What are the key properties of [1-(3-fluoropropyl)piperidin-3-yl]methanamine?
[1-(3-fluoropropyl)piperidin-3-yl]methanamine has a molecular weight of 174.26 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoropropyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 81107283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).