[3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine

C11H22FN3 — CID 115029305

IUPAC[3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
SMILESCN1CCC(N2CCC(F)(CN)C2)CC1
InChIInChI=1S/C11H22FN3/c1-14-5-2-10(3-6-14)15-7-4-11(12,8-13)9-15/h10H,2-9,13H2,1H3
InChIKeyCKEUNRGAYNQICA-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.45
Rot. Bonds2

About [3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine

[3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine (PubChem CID 115029305) has the molecular formula C11H22FN3 and a molecular weight of 215.32 g/mol. Its IUPAC name is [3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
PubChem CID115029305
Molecular FormulaC11H22FN3
Molecular Weight215.32 g/mol
Exact Mass215.18
IUPAC Name[3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
SMILESCN1CCC(N2CCC(F)(CN)C2)CC1
InChIInChI=1S/C11H22FN3/c1-14-5-2-10(3-6-14)15-7-4-11(12,8-13)9-15/h10H,2-9,13H2,1H3
InChIKeyCKEUNRGAYNQICA-UHFFFAOYSA-N
XLogP0.45
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-1-(thian-4-yl)pyrrolidin-3-yl]methanamine
CID 115030969
[4-(difluoromethyl)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine
CID 115048851
8-methyl-2-(1-methylpiperidin-4-yl)-2,8-diazaspiro[4.5]decane
CID 155218569
3,3-difluoro-1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine
CID 156546245
ethane;6-methyl-2-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane
CID 171786053
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
1-methyl-3-(1-methylpiperidin-4-yl)-1,3-diazinane
CID 167009896
[1-(1-methylazepan-4-yl)piperidin-4-yl]methanamine
CID 65075116
1-(1-methylazepan-4-yl)piperidin-4-amine
CID 65074908
[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine;hydrochloride
CID 171394437
N-[3-(aminomethyl)-1-cyclopropylpyrrolidin-3-yl]-N,1-dimethylpiperidin-3-amine
CID 62976020
4-fluoro-1-(1-methylpiperidin-4-yl)piperidine
CID 90227733

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine (CID 115029305) is [3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine is CN1CCC(N2CCC(F)(CN)C2)CC1.
What is the InChIKey of [3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is CKEUNRGAYNQICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN3/c1-14-5-2-10(3-6-14)15-7-4-11(12,8-13)9-15/h10H,2-9,13H2,1H3.
What are the key properties of [3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine?
[3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 215.32 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 115029305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).