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

C10H21FN2 — CID 105443310

IUPAC3-fluoro-3-(1-methylpiperidin-3-yl)butan-2-amine
SMILESCC(N)C(C)(F)C1CCCN(C)C1
InChIInChI=1S/C10H21FN2/c1-8(12)10(2,11)9-5-4-6-13(3)7-9/h8-9H,4-7,12H2,1-3H3
InChIKeyDWRAEYSOTFHRFR-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.40
Rot. Bonds2

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

3-fluoro-3-(1-methylpiperidin-3-yl)butan-2-amine (PubChem CID 105443310) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is 3-fluoro-3-(1-methylpiperidin-3-yl)butan-2-amine.

Molecular Properties

Compound Name3-fluoro-3-(1-methylpiperidin-3-yl)butan-2-amine
PubChem CID105443310
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name3-fluoro-3-(1-methylpiperidin-3-yl)butan-2-amine
SMILESCC(N)C(C)(F)C1CCCN(C)C1
InChIInChI=1S/C10H21FN2/c1-8(12)10(2,11)9-5-4-6-13(3)7-9/h8-9H,4-7,12H2,1-3H3
InChIKeyDWRAEYSOTFHRFR-UHFFFAOYSA-N
XLogP1.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-3-(1-methylpiperidin-4-yl)butan-2-amine
CID 105443311
(3S)-3-tert-butyl-1-methylpiperidine
CID 129190972
2-methyl-2-(1-methylpiperidin-3-yl)propane-1-thiol
CID 116866531
3,3-difluoro-3-(1-methylpiperidin-3-yl)propan-1-ol
CID 116841111
2,2,3,5-tetramethyl-5-(1-methylpiperidin-3-yl)hexan-3-amine
CID 146366488
1-cyclopentyl-1,1-difluoropropan-2-amine
CID 105432155
3-[2,4-dimethyl-4-(oxiran-2-yl)pentan-2-yl]-1-methylpiperidine
CID 170290565
3-methyl-2-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]butan-1-ol
CID 115137861
2-[(3R)-1-methylpyrrolidin-3-yl]propan-2-amine
CID 59033358
ethane;1-methyl-3-(trifluoromethyl)pyrrolidine
CID 177172924
3-methyl-1-(1-methylpiperidin-3-yl)butan-2-amine
CID 83983005
4-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]cyclohexane-1,4-diamine
CID 115149957

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(1-methylpiperidin-3-yl)butan-2-amine?
The IUPAC name of 3-fluoro-3-(1-methylpiperidin-3-yl)butan-2-amine (CID 105443310) is 3-fluoro-3-(1-methylpiperidin-3-yl)butan-2-amine.
What is the SMILES notation for 3-fluoro-3-(1-methylpiperidin-3-yl)butan-2-amine?
The canonical SMILES for 3-fluoro-3-(1-methylpiperidin-3-yl)butan-2-amine is CC(N)C(C)(F)C1CCCN(C)C1.
What is the InChIKey of 3-fluoro-3-(1-methylpiperidin-3-yl)butan-2-amine?
The InChIKey is DWRAEYSOTFHRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2/c1-8(12)10(2,11)9-5-4-6-13(3)7-9/h8-9H,4-7,12H2,1-3H3.
What are the key properties of 3-fluoro-3-(1-methylpiperidin-3-yl)butan-2-amine?
3-fluoro-3-(1-methylpiperidin-3-yl)butan-2-amine has a molecular weight of 188.29 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(1-methylpiperidin-3-yl)butan-2-amine is sourced from PubChem (CID 105443310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).