1-fluoro-1-(1-methylpiperidin-3-yl)propan-2-amine

C9H19FN2 — CID 105435885

IUPAC1-fluoro-1-(1-methylpiperidin-3-yl)propan-2-amine
SMILESCC(N)C(F)C1CCCN(C)C1
InChIInChI=1S/C9H19FN2/c1-7(11)9(10)8-4-3-5-12(2)6-8/h7-9H,3-6,11H2,1-2H3
InChIKeyXXDSGZYXWRZATB-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.01
Rot. Bonds2

About 1-fluoro-1-(1-methylpiperidin-3-yl)propan-2-amine

1-fluoro-1-(1-methylpiperidin-3-yl)propan-2-amine (PubChem CID 105435885) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is 1-fluoro-1-(1-methylpiperidin-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-fluoro-1-(1-methylpiperidin-3-yl)propan-2-amine
PubChem CID105435885
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name1-fluoro-1-(1-methylpiperidin-3-yl)propan-2-amine
SMILESCC(N)C(F)C1CCCN(C)C1
InChIInChI=1S/C9H19FN2/c1-7(11)9(10)8-4-3-5-12(2)6-8/h7-9H,3-6,11H2,1-2H3
InChIKeyXXDSGZYXWRZATB-UHFFFAOYSA-N
XLogP1.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethyl-2-methylpiperidine
CID 7727
2,4,6-Trimethylpiperidine
CID 89562
N-(cyclohexylmethyl)-1-ethylpiperidin-4-amine
CID 2846481
1-(1-Isopropyl-3-piperidinyl)methanamine
CID 3157476
1-methyl-N-(2-methylcyclohexyl)piperidin-4-amine
CID 2846586
2-[1-(2-Methylpropyl)piperidin-2-yl]ethan-1-amine
CID 45791072
2-(1-Methylpiperidin-3-yl)ethan-1-amine
CID 12253960
Dimethyl(2-(piperidin-3-yl)ethyl)amine
CID 21186415
1-(Cyclohexylmethyl)piperidin-4-amine
CID 6496941
(1-Isopropylpiperidin-4-yl)methanamine
CID 7258859
3-Butyl-1-cyclohexylpiperidin-4-amine
CID 11659120
2-(1,4-Dimethylpiperazin-2-yl)-3-methylpentan-1-amine
CID 3052885

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(1-methylpiperidin-3-yl)propan-2-amine?
The IUPAC name of 1-fluoro-1-(1-methylpiperidin-3-yl)propan-2-amine (CID 105435885) is 1-fluoro-1-(1-methylpiperidin-3-yl)propan-2-amine.
What is the SMILES notation for 1-fluoro-1-(1-methylpiperidin-3-yl)propan-2-amine?
The canonical SMILES for 1-fluoro-1-(1-methylpiperidin-3-yl)propan-2-amine is CC(N)C(F)C1CCCN(C)C1.
What is the InChIKey of 1-fluoro-1-(1-methylpiperidin-3-yl)propan-2-amine?
The InChIKey is XXDSGZYXWRZATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-7(11)9(10)8-4-3-5-12(2)6-8/h7-9H,3-6,11H2,1-2H3.
What are the key properties of 1-fluoro-1-(1-methylpiperidin-3-yl)propan-2-amine?
1-fluoro-1-(1-methylpiperidin-3-yl)propan-2-amine has a molecular weight of 174.26 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(1-methylpiperidin-3-yl)propan-2-amine is sourced from PubChem (CID 105435885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).