[2-(aminomethyl)-3-methylpiperidin-1-yl]-piperidin-4-ylmethanone

C13H25N3O — CID 119260965

IUPAC[2-(aminomethyl)-3-methylpiperidin-1-yl]-piperidin-4-ylmethanone
SMILESCC1CCCN(C(=O)C2CCNCC2)C1CN
InChIInChI=1S/C13H25N3O/c1-10-3-2-8-16(12(10)9-14)13(17)11-4-6-15-7-5-11/h10-12,15H,2-9,14H2,1H3
InChIKeyOBDGJZQUPAEQCX-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.57
Rot. Bonds2

About [2-(aminomethyl)-3-methylpiperidin-1-yl]-piperidin-4-ylmethanone

[2-(aminomethyl)-3-methylpiperidin-1-yl]-piperidin-4-ylmethanone (PubChem CID 119260965) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is [2-(aminomethyl)-3-methylpiperidin-1-yl]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[2-(aminomethyl)-3-methylpiperidin-1-yl]-piperidin-4-ylmethanone
PubChem CID119260965
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name[2-(aminomethyl)-3-methylpiperidin-1-yl]-piperidin-4-ylmethanone
SMILESCC1CCCN(C(=O)C2CCNCC2)C1CN
InChIInChI=1S/C13H25N3O/c1-10-3-2-8-16(12(10)9-14)13(17)11-4-6-15-7-5-11/h10-12,15H,2-9,14H2,1H3
InChIKeyOBDGJZQUPAEQCX-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-cyclopentylmethanone
CID 95320415
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 119597339
[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 124592788
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(thian-4-yl)methanone
CID 125147034
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 124696237
[(1R,3R)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone
CID 125147082
[(1R,3S)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone
CID 125147083
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106893347
(3-methyl-2-propylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119809617
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 103807145
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2,2,3,3,3-pentafluoropropan-1-one
CID 114038039
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-bicyclo[3.1.0]hexanyl)methanone
CID 102783465

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-3-methylpiperidin-1-yl]-piperidin-4-ylmethanone?
The IUPAC name of [2-(aminomethyl)-3-methylpiperidin-1-yl]-piperidin-4-ylmethanone (CID 119260965) is [2-(aminomethyl)-3-methylpiperidin-1-yl]-piperidin-4-ylmethanone.
What is the SMILES notation for [2-(aminomethyl)-3-methylpiperidin-1-yl]-piperidin-4-ylmethanone?
The canonical SMILES for [2-(aminomethyl)-3-methylpiperidin-1-yl]-piperidin-4-ylmethanone is CC1CCCN(C(=O)C2CCNCC2)C1CN.
What is the InChIKey of [2-(aminomethyl)-3-methylpiperidin-1-yl]-piperidin-4-ylmethanone?
The InChIKey is OBDGJZQUPAEQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10-3-2-8-16(12(10)9-14)13(17)11-4-6-15-7-5-11/h10-12,15H,2-9,14H2,1H3.
What are the key properties of [2-(aminomethyl)-3-methylpiperidin-1-yl]-piperidin-4-ylmethanone?
[2-(aminomethyl)-3-methylpiperidin-1-yl]-piperidin-4-ylmethanone has a molecular weight of 239.36 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-3-methylpiperidin-1-yl]-piperidin-4-ylmethanone is sourced from PubChem (CID 119260965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).