1-benzyl-N-tert-butylpiperidin-4-amine;1-benzylpiperidin-4-one;methane;2-methylpropan-2-amine

C33H56N4O — CID 158278488

IUPAC1-benzyl-N-tert-butylpiperidin-4-amine;1-benzylpiperidin-4-one;methane;2-methylpropan-2-amine
SMILESC.CC(C)(C)N.CC(C)(C)NC1CCN(Cc2ccccc2)CC1.O=C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H26N2.C12H15NO.C4H11N.CH4/c1-16(2,3)17-15-9-11-18(12-10-15)13-14-7-5-4-6-8-14;14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11;1-4(2,3)5;/h4-8,15,17H,9-13H2,1-3H3;1-5H,6-10H2;5H2,1-3H3;1H4
InChIKeyGJXJGTAHOPMYSE-UHFFFAOYSA-N
MW524.84 g/mol
LogP6.27
Rot. Bonds5

About 1-benzyl-N-tert-butylpiperidin-4-amine;1-benzylpiperidin-4-one;methane;2-methylpropan-2-amine

1-benzyl-N-tert-butylpiperidin-4-amine;1-benzylpiperidin-4-one;methane;2-methylpropan-2-amine (PubChem CID 158278488) has the molecular formula C33H56N4O and a molecular weight of 524.84 g/mol. Its IUPAC name is 1-benzyl-N-tert-butylpiperidin-4-amine;1-benzylpiperidin-4-one;methane;2-methylpropan-2-amine.

Molecular Properties

Compound Name1-benzyl-N-tert-butylpiperidin-4-amine;1-benzylpiperidin-4-one;methane;2-methylpropan-2-amine
PubChem CID158278488
Molecular FormulaC33H56N4O
Molecular Weight524.84 g/mol
Exact Mass524.45
IUPAC Name1-benzyl-N-tert-butylpiperidin-4-amine;1-benzylpiperidin-4-one;methane;2-methylpropan-2-amine
SMILESC.CC(C)(C)N.CC(C)(C)NC1CCN(Cc2ccccc2)CC1.O=C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H26N2.C12H15NO.C4H11N.CH4/c1-16(2,3)17-15-9-11-18(12-10-15)13-14-7-5-4-6-8-14;14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11;1-4(2,3)5;/h4-8,15,17H,9-13H2,1-3H3;1-5H,6-10H2;5H2,1-3H3;1H4
InChIKeyGJXJGTAHOPMYSE-UHFFFAOYSA-N
XLogP6.27
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.84
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-N-tert-butylpiperidin-4-amine;1-benzylpiperidin-4-one;methane;2-methylpropan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide
CID 61211452
1-benzylpiperidin-4-one;butane
CID 70571840
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 6938115
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
benzyl carbonochloridate;1-benzylpiperidin-4-one;ethane
CID 90736428
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
2-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpropan-1-ol
CID 45283387
1-benzyl-N-(2-methylcyclopropyl)piperidin-4-amine
CID 62396493
(3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71648802
[(1-benzylpiperidin-4-yl)amino]carbamic acid
CID 68925695
1-benzyl-3,3-dimethylpiperidin-4-one;1-benzylpiperidin-4-one
CID 159724836

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-tert-butylpiperidin-4-amine;1-benzylpiperidin-4-one;methane;2-methylpropan-2-amine?
The IUPAC name of 1-benzyl-N-tert-butylpiperidin-4-amine;1-benzylpiperidin-4-one;methane;2-methylpropan-2-amine (CID 158278488) is 1-benzyl-N-tert-butylpiperidin-4-amine;1-benzylpiperidin-4-one;methane;2-methylpropan-2-amine.
What is the SMILES notation for 1-benzyl-N-tert-butylpiperidin-4-amine;1-benzylpiperidin-4-one;methane;2-methylpropan-2-amine?
The canonical SMILES for 1-benzyl-N-tert-butylpiperidin-4-amine;1-benzylpiperidin-4-one;methane;2-methylpropan-2-amine is C.CC(C)(C)N.CC(C)(C)NC1CCN(Cc2ccccc2)CC1.O=C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-tert-butylpiperidin-4-amine;1-benzylpiperidin-4-one;methane;2-methylpropan-2-amine?
The InChIKey is GJXJGTAHOPMYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2.C12H15NO.C4H11N.CH4/c1-16(2,3)17-15-9-11-18(12-10-15)13-14-7-5-4-6-8-14;14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11;1-4(2,3)5;/h4-8,15,17H,9-13H2,1-3H3;1-5H,6-10H2;5H2,1-3H3;1H4.
What are the key properties of 1-benzyl-N-tert-butylpiperidin-4-amine;1-benzylpiperidin-4-one;methane;2-methylpropan-2-amine?
1-benzyl-N-tert-butylpiperidin-4-amine;1-benzylpiperidin-4-one;methane;2-methylpropan-2-amine has a molecular weight of 524.84 g/mol, XLogP of 6.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-tert-butylpiperidin-4-amine;1-benzylpiperidin-4-one;methane;2-methylpropan-2-amine is sourced from PubChem (CID 158278488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).