[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3,3-difluorocyclopentyl)methanone

C13H22F2N2O — CID 114226111

IUPAC[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3,3-difluorocyclopentyl)methanone
SMILESCC1(CN)CCN(C(=O)C2CCC(F)(F)C2)CC1
InChIInChI=1S/C13H22F2N2O/c1-12(9-16)4-6-17(7-5-12)11(18)10-2-3-13(14,15)8-10/h10H,2-9,16H2,1H3
InChIKeyAICWCIZYBTWUBL-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.01
Rot. Bonds2

About [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3,3-difluorocyclopentyl)methanone

[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3,3-difluorocyclopentyl)methanone (PubChem CID 114226111) has the molecular formula C13H22F2N2O and a molecular weight of 260.33 g/mol. Its IUPAC name is [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3,3-difluorocyclopentyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3,3-difluorocyclopentyl)methanone
PubChem CID114226111
Molecular FormulaC13H22F2N2O
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3,3-difluorocyclopentyl)methanone
SMILESCC1(CN)CCN(C(=O)C2CCC(F)(F)C2)CC1
InChIInChI=1S/C13H22F2N2O/c1-12(9-16)4-6-17(7-5-12)11(18)10-2-3-13(14,15)8-10/h10H,2-9,16H2,1H3
InChIKeyAICWCIZYBTWUBL-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylcyclohexyl)methanone
CID 107159918
ethyl 1-(3,3-difluorocyclopentanecarbonyl)-4-hydroxypiperidine-4-carboxylate
CID 136539242
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 107159946
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone
CID 120806071
(3,3-difluorocyclopentyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 114189006
1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 107160042
(3,3-difluorocyclohexyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 114226093
(3,3-difluorocyclopentyl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 131008066
(3,3-difluorocyclopentyl)-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)methanone
CID 153329609
(5S)-7-amino-2-(3,3-difluorocyclopentanecarbonyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
CID 166945738
[4-(1-chloroethyl)piperidin-1-yl]-(3,3-difluorocyclohexyl)methanone
CID 114226677
cyclopropyl-[4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-1-yl]methanone
CID 100765989

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3,3-difluorocyclopentyl)methanone?
The IUPAC name of [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3,3-difluorocyclopentyl)methanone (CID 114226111) is [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3,3-difluorocyclopentyl)methanone.
What is the SMILES notation for [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3,3-difluorocyclopentyl)methanone?
The canonical SMILES for [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3,3-difluorocyclopentyl)methanone is CC1(CN)CCN(C(=O)C2CCC(F)(F)C2)CC1.
What is the InChIKey of [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3,3-difluorocyclopentyl)methanone?
The InChIKey is AICWCIZYBTWUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O/c1-12(9-16)4-6-17(7-5-12)11(18)10-2-3-13(14,15)8-10/h10H,2-9,16H2,1H3.
What are the key properties of [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3,3-difluorocyclopentyl)methanone?
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3,3-difluorocyclopentyl)methanone has a molecular weight of 260.33 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3,3-difluorocyclopentyl)methanone is sourced from PubChem (CID 114226111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).