1-(4-aminopiperidin-1-yl)-5-(4-tert-butylphenyl)pentan-1-one

C20H32N2O — CID 119374228

IUPAC1-(4-aminopiperidin-1-yl)-5-(4-tert-butylphenyl)pentan-1-one
SMILESCC(C)(C)c1ccc(CCCCC(=O)N2CCC(N)CC2)cc1
InChIInChI=1S/C20H32N2O/c1-20(2,3)17-10-8-16(9-11-17)6-4-5-7-19(23)22-14-12-18(21)13-15-22/h8-11,18H,4-7,12-15,21H2,1-3H3
InChIKeyQHMQGGATRVSXAO-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.65
Rot. Bonds5

About 1-(4-aminopiperidin-1-yl)-5-(4-tert-butylphenyl)pentan-1-one

1-(4-aminopiperidin-1-yl)-5-(4-tert-butylphenyl)pentan-1-one (PubChem CID 119374228) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-5-(4-tert-butylphenyl)pentan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-5-(4-tert-butylphenyl)pentan-1-one
PubChem CID119374228
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name1-(4-aminopiperidin-1-yl)-5-(4-tert-butylphenyl)pentan-1-one
SMILESCC(C)(C)c1ccc(CCCCC(=O)N2CCC(N)CC2)cc1
InChIInChI=1S/C20H32N2O/c1-20(2,3)17-10-8-16(9-11-17)6-4-5-7-19(23)22-14-12-18(21)13-15-22/h8-11,18H,4-7,12-15,21H2,1-3H3
InChIKeyQHMQGGATRVSXAO-UHFFFAOYSA-N
XLogP3.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(aminomethyl)pyrrolidin-1-yl]-5-(4-tert-butylphenyl)pentan-1-one;hydrochloride
CID 119484639
4-(4-tert-butylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 110353819
3-(4-tert-butylphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119543706
1-(4-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one;hydrochloride
CID 119374555
1-[(3R)-3-aminopyrrolidin-1-yl]-6-(4-iodophenyl)hexan-1-one;hydrochloride
CID 119410112
3-(4-tert-butylphenyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 112537676
3-(4-tert-butylphenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111561168
1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-5-(4-methylphenyl)pentan-1-one
CID 60602172
1-[4-(ethylaminomethyl)piperidin-1-yl]-5-(4-methylphenyl)pentan-1-one
CID 119645010
N-[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 55484384
3-(4-tert-butylphenyl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 110721422
4-[2-(4-tert-butylphenyl)ethyl]piperidine-1-carboxylic acid
CID 174516040

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-5-(4-tert-butylphenyl)pentan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-5-(4-tert-butylphenyl)pentan-1-one (CID 119374228) is 1-(4-aminopiperidin-1-yl)-5-(4-tert-butylphenyl)pentan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-5-(4-tert-butylphenyl)pentan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-5-(4-tert-butylphenyl)pentan-1-one is CC(C)(C)c1ccc(CCCCC(=O)N2CCC(N)CC2)cc1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-5-(4-tert-butylphenyl)pentan-1-one?
The InChIKey is QHMQGGATRVSXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-20(2,3)17-10-8-16(9-11-17)6-4-5-7-19(23)22-14-12-18(21)13-15-22/h8-11,18H,4-7,12-15,21H2,1-3H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-5-(4-tert-butylphenyl)pentan-1-one?
1-(4-aminopiperidin-1-yl)-5-(4-tert-butylphenyl)pentan-1-one has a molecular weight of 316.49 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-5-(4-tert-butylphenyl)pentan-1-one is sourced from PubChem (CID 119374228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).