4-(4-aminopiperidin-1-yl)cyclohexan-1-one

C11H20N2O — CID 124908636

IUPAC4-(4-aminopiperidin-1-yl)cyclohexan-1-one
SMILESNC1CCN(C2CCC(=O)CC2)CC1
InChIInChI=1S/C11H20N2O/c12-9-5-7-13(8-6-9)10-1-3-11(14)4-2-10/h9-10H,1-8,12H2
InChIKeyROZYDJSSXKRQHX-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.92
Rot. Bonds1

About 4-(4-aminopiperidin-1-yl)cyclohexan-1-one

4-(4-aminopiperidin-1-yl)cyclohexan-1-one (PubChem CID 124908636) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-(4-aminopiperidin-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(4-aminopiperidin-1-yl)cyclohexan-1-one
PubChem CID124908636
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-(4-aminopiperidin-1-yl)cyclohexan-1-one
SMILESNC1CCN(C2CCC(=O)CC2)CC1
InChIInChI=1S/C11H20N2O/c12-9-5-7-13(8-6-9)10-1-3-11(14)4-2-10/h9-10H,1-8,12H2
InChIKeyROZYDJSSXKRQHX-UHFFFAOYSA-N
XLogP0.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-one
CID 114762273
ethyl 1-(4-oxocyclohexyl)piperidine-4-carboxylate
CID 169225994
2,4,6,8,9,9a-hexahydro-1H-quinolizine-3,7-dione
CID 164802579
4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]cyclohexan-1-one
CID 114802980
3-pyrrolidin-1-ylcyclopentan-1-one
CID 79643269
3-(3-aminopyrrolidin-1-yl)cyclohexan-1-one
CID 79619295
(3S)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-3-amine
CID 66799053
4-(3,3-difluoroazetidin-1-yl)cyclohexan-1-one
CID 89330353
1-(oxan-4-yl)piperidin-4-one
CID 43610249
4-[3-(hydroxymethyl)piperidin-1-yl]cyclohexan-1-one
CID 114762063
1-(4-oxocyclohexyl)piperidine-3-carboxamide
CID 114761991
1-(1-cycloheptylpyrrolidin-3-yl)piperidin-4-amine
CID 80552697

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperidin-1-yl)cyclohexan-1-one?
The IUPAC name of 4-(4-aminopiperidin-1-yl)cyclohexan-1-one (CID 124908636) is 4-(4-aminopiperidin-1-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(4-aminopiperidin-1-yl)cyclohexan-1-one?
The canonical SMILES for 4-(4-aminopiperidin-1-yl)cyclohexan-1-one is NC1CCN(C2CCC(=O)CC2)CC1.
What is the InChIKey of 4-(4-aminopiperidin-1-yl)cyclohexan-1-one?
The InChIKey is ROZYDJSSXKRQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c12-9-5-7-13(8-6-9)10-1-3-11(14)4-2-10/h9-10H,1-8,12H2.
What are the key properties of 4-(4-aminopiperidin-1-yl)cyclohexan-1-one?
4-(4-aminopiperidin-1-yl)cyclohexan-1-one has a molecular weight of 196.29 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopiperidin-1-yl)cyclohexan-1-one is sourced from PubChem (CID 124908636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).