1-(4-aminopiperidin-1-yl)-2-methyl-2-piperidin-1-ylpropan-1-one

C14H27N3O — CID 39260263

IUPAC1-(4-aminopiperidin-1-yl)-2-methyl-2-piperidin-1-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCC(N)CC1)N1CCCCC1
InChIInChI=1S/C14H27N3O/c1-14(2,17-8-4-3-5-9-17)13(18)16-10-6-12(15)7-11-16/h12H,3-11,15H2,1-2H3
InChIKeyPTTUYWFHIWYOHL-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.20
Rot. Bonds2

About 1-(4-aminopiperidin-1-yl)-2-methyl-2-piperidin-1-ylpropan-1-one

1-(4-aminopiperidin-1-yl)-2-methyl-2-piperidin-1-ylpropan-1-one (PubChem CID 39260263) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-methyl-2-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-methyl-2-piperidin-1-ylpropan-1-one
PubChem CID39260263
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-(4-aminopiperidin-1-yl)-2-methyl-2-piperidin-1-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCC(N)CC1)N1CCCCC1
InChIInChI=1S/C14H27N3O/c1-14(2,17-8-4-3-5-9-17)13(18)16-10-6-12(15)7-11-16/h12H,3-11,15H2,1-2H3
InChIKeyPTTUYWFHIWYOHL-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one
CID 110460861
1-(4-aminopiperidin-1-yl)-2-chloro-2-methylpropan-1-one
CID 71122882
1-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 119413592
1-(4-aminopiperidin-1-yl)ethanone;ethane
CID 142912103
(4-aminopiperidin-1-yl)-cyclobutylmethanone
CID 16777962
2-(azepan-1-yl)-1-cycloheptyl-2-methylpropan-1-one
CID 82931395
di(piperidin-1-yl)methanone;1-methylpiperidin-4-amine
CID 174339916
2-amino-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 61264661
2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)propan-1-one
CID 79052397
1-cyclopropyl-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 79056596
(3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81125729
1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110667071

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-methyl-2-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-methyl-2-piperidin-1-ylpropan-1-one (CID 39260263) is 1-(4-aminopiperidin-1-yl)-2-methyl-2-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-methyl-2-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-methyl-2-piperidin-1-ylpropan-1-one is CC(C)(C(=O)N1CCC(N)CC1)N1CCCCC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-methyl-2-piperidin-1-ylpropan-1-one?
The InChIKey is PTTUYWFHIWYOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-14(2,17-8-4-3-5-9-17)13(18)16-10-6-12(15)7-11-16/h12H,3-11,15H2,1-2H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-methyl-2-piperidin-1-ylpropan-1-one?
1-(4-aminopiperidin-1-yl)-2-methyl-2-piperidin-1-ylpropan-1-one has a molecular weight of 253.39 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-methyl-2-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 39260263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).