[2-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone

C14H27N3O — CID 115270742

IUPAC[2-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)N2CCCCC2(C)CN)CC1
InChIInChI=1S/C14H27N3O/c1-14(11-15)7-3-4-8-17(14)13(18)12-5-9-16(2)10-6-12/h12H,3-11,15H2,1-2H3
InChIKeyARJJLYPELAZFLN-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.06
Rot. Bonds2

About [2-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone

[2-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone (PubChem CID 115270742) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is [2-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
PubChem CID115270742
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name[2-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)N2CCCCC2(C)CN)CC1
InChIInChI=1S/C14H27N3O/c1-14(11-15)7-3-4-8-17(14)13(18)12-5-9-16(2)10-6-12/h12H,3-11,15H2,1-2H3
InChIKeyARJJLYPELAZFLN-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-cyclopentylmethanone
CID 115270531
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone
CID 115270563
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
CID 115270562
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(dimethylamino)ethanone
CID 165469087
1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-2-carboxylic acid
CID 79527352
(2,2-dimethylpyrrolidin-1-yl)-[(3R)-1,1-dioxothiolan-3-yl]methanone
CID 100671287
[2-(aminomethyl)-2-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 115270727
[2-(aminomethyl)-2-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 115267174
[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 124592788
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 119597339
(2R)-2-(aminomethyl)-2-tert-butylpiperidine-1-carboxylic acid
CID 66593969
1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-3-yl)butan-1-one
CID 115270787

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The IUPAC name of [2-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone (CID 115270742) is [2-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone is CN1CCC(C(=O)N2CCCCC2(C)CN)CC1.
What is the InChIKey of [2-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The InChIKey is ARJJLYPELAZFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-14(11-15)7-3-4-8-17(14)13(18)12-5-9-16(2)10-6-12/h12H,3-11,15H2,1-2H3.
What are the key properties of [2-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
[2-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone has a molecular weight of 253.39 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 115270742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).