[4-[1-(4-aminopiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone

C21H26N2O — CID 12802930

IUPAC[4-[1-(4-aminopiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone
SMILESCC(CN1CCC(N)CC1)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O/c1-16(15-23-13-11-20(22)12-14-23)17-7-9-19(10-8-17)21(24)18-5-3-2-4-6-18/h2-10,16,20H,11-15,22H2,1H3
InChIKeyMFRZTKQFYZIOQH-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.44
Rot. Bonds5

About [4-[1-(4-aminopiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone

[4-[1-(4-aminopiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone (PubChem CID 12802930) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is [4-[1-(4-aminopiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[1-(4-aminopiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone
PubChem CID12802930
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name[4-[1-(4-aminopiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone
SMILESCC(CN1CCC(N)CC1)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O/c1-16(15-23-13-11-20(22)12-14-23)17-7-9-19(10-8-17)21(24)18-5-3-2-4-6-18/h2-10,16,20H,11-15,22H2,1H3
InChIKeyMFRZTKQFYZIOQH-UHFFFAOYSA-N
XLogP3.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(2S)-2-phenylpropyl]pyrrolidine-3-carboxylic acid
CID 129413679
1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one
CID 72638559
2-[1-(2-phenylpropyl)piperidin-4-yl]oxyacetic acid
CID 65066046
[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883905
N-[1-[2-(4-benzoylphenyl)propyl]piperidin-2-yl]cyclohexanecarboxamide
CID 70524385
3-methyl-1-(2-phenylpropyl)piperidin-4-amine
CID 79879108
2-(4-aminopiperidin-1-yl)-1-phenylpropan-1-one
CID 62031296
(3S)-1-[2-(4-fluorophenyl)propyl]pyrrolidin-3-amine;hydrochloride
CID 120836364
2-(4-aminopiperidin-1-yl)-N-(1-phenylethyl)acetamide
CID 43556855
(4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone
CID 795735
3-ethyl-1-(2-phenylpropyl)piperidin-4-amine
CID 81456838
(4-phenylpiperazin-1-yl)-[1-(2-phenylpropyl)piperidin-4-yl]methanone
CID 3781399

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-aminopiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone?
The IUPAC name of [4-[1-(4-aminopiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone (CID 12802930) is [4-[1-(4-aminopiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[1-(4-aminopiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[1-(4-aminopiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone is CC(CN1CCC(N)CC1)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[1-(4-aminopiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone?
The InChIKey is MFRZTKQFYZIOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-16(15-23-13-11-20(22)12-14-23)17-7-9-19(10-8-17)21(24)18-5-3-2-4-6-18/h2-10,16,20H,11-15,22H2,1H3.
What are the key properties of [4-[1-(4-aminopiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone?
[4-[1-(4-aminopiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone has a molecular weight of 322.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-aminopiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone is sourced from PubChem (CID 12802930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).