2-bicyclo[2.2.1]hept-5-enyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone

C16H26N2O — CID 80551690

IUPAC2-bicyclo[2.2.1]hept-5-enyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)C2CC3C=CC2C3)CC1
InChIInChI=1S/C16H26N2O/c1-2-17-11-12-5-7-18(8-6-12)16(19)15-10-13-3-4-14(15)9-13/h3-4,12-15,17H,2,5-11H2,1H3
InChIKeyGTZKBYLUIXRKBJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.05
Rot. Bonds4

About 2-bicyclo[2.2.1]hept-5-enyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone

2-bicyclo[2.2.1]hept-5-enyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone (PubChem CID 80551690) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
PubChem CID80551690
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-bicyclo[2.2.1]hept-5-enyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)C2CC3C=CC2C3)CC1
InChIInChI=1S/C16H26N2O/c1-2-17-11-12-5-7-18(8-6-12)16(19)15-10-13-3-4-14(15)9-13/h3-4,12-15,17H,2,5-11H2,1H3
InChIKeyGTZKBYLUIXRKBJ-UHFFFAOYSA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylcyclopropyl)methanone
CID 80552587
cyclopropyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80552531
(3-aminopyrrolidin-1-yl)-(2-bicyclo[2.2.1]hept-5-enyl)methanone
CID 62068890
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 119647074
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone
CID 119647354
[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-[4-[1-(methoxymethyl)cyclobutanecarbonyl]-1,4-diazepan-1-yl]methanone
CID 137345424
2-bicyclo[2.2.1]hept-5-enyl-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 154583672
bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;2-bicyclo[2.2.1]hept-5-enyl-[4,4-bis(hydroxymethyl)piperidin-1-yl]methanone
CID 158177900
2-bicyclo[2.2.1]hept-5-enyl-(2-ethylpiperidin-1-yl)methanone
CID 12760884
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 81485174
N-[1-[(1R,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]piperidin-4-yl]-1-methylpyrrole-2-carboxamide
CID 98361735
2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 17395764

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone (CID 80551690) is 2-bicyclo[2.2.1]hept-5-enyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone is CCNCC1CCN(C(=O)C2CC3C=CC2C3)CC1.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is GTZKBYLUIXRKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-17-11-12-5-7-18(8-6-12)16(19)15-10-13-3-4-14(15)9-13/h3-4,12-15,17H,2,5-11H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
2-bicyclo[2.2.1]hept-5-enyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 262.40 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 80551690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).