(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone

C15H22N2O — CID 18071748

IUPAC(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCC(N)CC2)cc1
InChIInChI=1S/C15H22N2O/c1-11(2)12-3-5-13(6-4-12)15(18)17-9-7-14(16)8-10-17/h3-6,11,14H,7-10,16H2,1-2H3
InChIKeyISTDHHDTYGMEBE-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.37
Rot. Bonds2

About (4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone

(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone (PubChem CID 18071748) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
PubChem CID18071748
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCC(N)CC2)cc1
InChIInChI=1S/C15H22N2O/c1-11(2)12-3-5-13(6-4-12)15(18)17-9-7-14(16)8-10-17/h3-6,11,14H,7-10,16H2,1-2H3
InChIKeyISTDHHDTYGMEBE-UHFFFAOYSA-N
XLogP2.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
CID 119413093
[(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 176746595
4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride
CID 178200611
azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 55408103
N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 49348928
(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864535
(4-aminopiperidin-1-yl)-(4-iodophenyl)methanone
CID 43556171
(3-fluoroazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864386
(4-methylpiperazin-1-yl)-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 130315888
(4-propan-2-ylphenyl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 18228909
cyclohexanamine;4-propan-2-ylbenzoic acid
CID 173455023
(3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 4191222

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone (CID 18071748) is (4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)N2CCC(N)CC2)cc1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone?
The InChIKey is ISTDHHDTYGMEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)12-3-5-13(6-4-12)15(18)17-9-7-14(16)8-10-17/h3-6,11,14H,7-10,16H2,1-2H3.
What are the key properties of (4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone?
(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone has a molecular weight of 246.35 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 18071748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).