[2-(aminomethyl)pyrrolidin-1-yl]-(3-methylpiperidin-1-yl)methanone

C12H23N3O — CID 79159225

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)N2CCCC2CN)C1
InChIInChI=1S/C12H23N3O/c1-10-4-2-6-14(9-10)12(16)15-7-3-5-11(15)8-13/h10-11H,2-9,13H2,1H3
InChIKeyLAFVJVZCGSGKNF-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.26
Rot. Bonds1

About [2-(aminomethyl)pyrrolidin-1-yl]-(3-methylpiperidin-1-yl)methanone

[2-(aminomethyl)pyrrolidin-1-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 79159225) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID79159225
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)N2CCCC2CN)C1
InChIInChI=1S/C12H23N3O/c1-10-4-2-6-14(9-10)12(16)15-7-3-5-11(15)8-13/h10-11H,2-9,13H2,1H3
InChIKeyLAFVJVZCGSGKNF-UHFFFAOYSA-N
XLogP1.26
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 112622398
methyl 2-[1-(3-methylpiperidine-1-carbonyl)piperidin-2-yl]acetate
CID 79163032
(2-methylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 116653733
1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 28706895
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 58333551
(2,4-dimethylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 116655527
2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride
CID 130694728
3-methylpiperidine-1-carboxamide
CID 16786142
[2-(3-aminopropyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79155943
1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 108988685
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one
CID 82503098
5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 104683408

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(3-methylpiperidin-1-yl)methanone (CID 79159225) is [2-(aminomethyl)pyrrolidin-1-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)N2CCCC2CN)C1.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is LAFVJVZCGSGKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10-4-2-6-14(9-10)12(16)15-7-3-5-11(15)8-13/h10-11H,2-9,13H2,1H3.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(3-methylpiperidin-1-yl)methanone?
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 225.34 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 79159225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).