2-(1-benzylpiperidin-4-yl)-2-azabicyclo[2.1.1]hexan-5-amine

C17H25N3 — CID 130871523

IUPAC2-(1-benzylpiperidin-4-yl)-2-azabicyclo[2.1.1]hexan-5-amine
SMILESNC1C2CC1N(C1CCN(Cc3ccccc3)CC1)C2
InChIInChI=1S/C17H25N3/c18-17-14-10-16(17)20(12-14)15-6-8-19(9-7-15)11-13-4-2-1-3-5-13/h1-5,14-17H,6-12,18H2
InChIKeyQNMIZKZLLAEPBT-UHFFFAOYSA-N
MW271.41 g/mol
LogP1.68
Rot. Bonds3

About 2-(1-benzylpiperidin-4-yl)-2-azabicyclo[2.1.1]hexan-5-amine

2-(1-benzylpiperidin-4-yl)-2-azabicyclo[2.1.1]hexan-5-amine (PubChem CID 130871523) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-2-azabicyclo[2.1.1]hexan-5-amine.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-2-azabicyclo[2.1.1]hexan-5-amine
PubChem CID130871523
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-(1-benzylpiperidin-4-yl)-2-azabicyclo[2.1.1]hexan-5-amine
SMILESNC1C2CC1N(C1CCN(Cc3ccccc3)CC1)C2
InChIInChI=1S/C17H25N3/c18-17-14-10-16(17)20(12-14)15-6-8-19(9-7-15)11-13-4-2-1-3-5-13/h1-5,14-17H,6-12,18H2
InChIKeyQNMIZKZLLAEPBT-UHFFFAOYSA-N
XLogP1.68
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-benzylpiperidin-4-yl)-3-benzylsulfonyl-3,6-diazabicyclo[3.2.0]heptane
CID 134076379
2-benzyl-2-azabicyclo[2.1.1]hexan-5-amine
CID 130023473
3-benzyl-3-azabicyclo[3.1.1]heptan-6-amine;dihydrochloride
CID 154704150
methyl (2S,4R)-4-amino-1-(1-benzylpiperidin-4-yl)pyrrolidine-2-carboxylate
CID 141357307
1-[(1S,5R)-6-(1-benzylpiperidin-4-yl)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-(4-chlorophenyl)ethanone
CID 97401651
1-benzyl-4-[(2R)-2-methylpiperidin-1-yl]piperidine
CID 30983085
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 24703138
1-(1-benzylpiperidin-4-yl)-2,5-dimethylpiperazine
CID 64979645
1-(1-benzylpiperidin-4-yl)-4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine
CID 11896886
1-benzylpyrrolidine-3,4-diamine;cyclobutane-1,2-diamine;cyclopropane-1,2-diamine
CID 158227606
(1-benzylpiperidin-4-yl)-dimethylazanium
CID 86306723

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-2-azabicyclo[2.1.1]hexan-5-amine?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-2-azabicyclo[2.1.1]hexan-5-amine (CID 130871523) is 2-(1-benzylpiperidin-4-yl)-2-azabicyclo[2.1.1]hexan-5-amine.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-2-azabicyclo[2.1.1]hexan-5-amine?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-2-azabicyclo[2.1.1]hexan-5-amine is NC1C2CC1N(C1CCN(Cc3ccccc3)CC1)C2.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-2-azabicyclo[2.1.1]hexan-5-amine?
The InChIKey is QNMIZKZLLAEPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c18-17-14-10-16(17)20(12-14)15-6-8-19(9-7-15)11-13-4-2-1-3-5-13/h1-5,14-17H,6-12,18H2.
What are the key properties of 2-(1-benzylpiperidin-4-yl)-2-azabicyclo[2.1.1]hexan-5-amine?
2-(1-benzylpiperidin-4-yl)-2-azabicyclo[2.1.1]hexan-5-amine has a molecular weight of 271.41 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-2-azabicyclo[2.1.1]hexan-5-amine is sourced from PubChem (CID 130871523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).