(4-amino-3-methylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone

C12H23N3O — CID 79867793

IUPAC(4-amino-3-methylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone
SMILESCC1CN(C(=O)C2CCN(C)C2)CCC1N
InChIInChI=1S/C12H23N3O/c1-9-7-15(6-4-11(9)13)12(16)10-3-5-14(2)8-10/h9-11H,3-8,13H2,1-2H3
InChIKeyAJGQIJDHLNKSFF-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.13
Rot. Bonds1

About (4-amino-3-methylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone

(4-amino-3-methylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone (PubChem CID 79867793) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (4-amino-3-methylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone
PubChem CID79867793
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(4-amino-3-methylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone
SMILESCC1CN(C(=O)C2CCN(C)C2)CCC1N
InChIInChI=1S/C12H23N3O/c1-9-7-15(6-4-11(9)13)12(16)10-3-5-14(2)8-10/h9-11H,3-8,13H2,1-2H3
InChIKeyAJGQIJDHLNKSFF-UHFFFAOYSA-N
XLogP0.13
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3-methylpiperidin-1-yl)-cyclobutylmethanone
CID 79867706
(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone
CID 79868589
(3R,4R)-1,3-dimethylpiperidin-4-amine
CID 98186941
(3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid
CID 146402119
(4-amino-3-methylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 79879328
1,3-dimethylpiperidin-4-amine;dihydrochloride
CID 53407082
1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride
CID 71757060
(3,4-diaminopyrrolidin-1-yl)-(1-methylpiperidin-4-yl)methanone
CID 90427686
(4-aminopiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone
CID 129493268
cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone
CID 21061776
(3-aminopiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 121200535
1,3-dimethylpiperidin-4-amine;ethane;molecular hydrogen
CID 176946053

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone (CID 79867793) is (4-amino-3-methylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-amino-3-methylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-amino-3-methylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone is CC1CN(C(=O)C2CCN(C)C2)CCC1N.
What is the InChIKey of (4-amino-3-methylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone?
The InChIKey is AJGQIJDHLNKSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9-7-15(6-4-11(9)13)12(16)10-3-5-14(2)8-10/h9-11H,3-8,13H2,1-2H3.
What are the key properties of (4-amino-3-methylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone?
(4-amino-3-methylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone has a molecular weight of 225.34 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 79867793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).