1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-1-one;methane

C16H27NO — CID 142186993

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-1-one;methane
SMILESC.O=C(CCN1CCCCC1)C1CC2C=CC1C2
InChIInChI=1S/C15H23NO.CH4/c17-15(6-9-16-7-2-1-3-8-16)14-11-12-4-5-13(14)10-12;/h4-5,12-14H,1-3,6-11H2;1H4
InChIKeyOMUOXZHREFXFLV-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.28
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-1-one;methane

1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-1-one;methane (PubChem CID 142186993) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-1-one;methane.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-1-one;methane
PubChem CID142186993
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-1-one;methane
SMILESC.O=C(CCN1CCCCC1)C1CC2C=CC1C2
InChIInChI=1S/C15H23NO.CH4/c17-15(6-9-16-7-2-1-3-8-16)14-11-12-4-5-13(14)10-12;/h4-5,12-14H,1-3,6-11H2;1H4
InChIKeyOMUOXZHREFXFLV-UHFFFAOYSA-N
XLogP3.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Bicyclo(2.2.1)hept-5-en-2-yl)-3-piperidinopropan-1-one
CID 12147988
1-(Bicyclo(2.2.1)hept-5-en-2-yl)-3-piperidinopropan-1-one hydrochloride
CID 44146755
1-((1RS,2SR(alpha Hydrogen),4RS)-bicyclo(2.2.1)hept-5-en-2-yl)-3-(piperidin-1-yl)propan-1-one, exo form-
CID 71587744
Oxalic acid--1-(bicyclo[2.2.1]hept-5-en-2-yl)-3-(piperidin-1-yl)propan-1-one (1/1)
CID 131887909
1-Bicyclo(2.2.1)hept-5-EN-2-YL-3-dimethylamino-propan-1-one
CID 3301102
2-Bicyclo[2.2.1]hept-5-enyl-(3-methylpiperidin-1-yl)methanone
CID 12760882
1-(Bicyclo[2.2.1]hept-5-en-2-yl)-4-(dimethylamino)butan-1-one
CID 21416500
5-Dimethylaminoacetyl-2-Norbornene
CID 21416502
1-(2-Bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-2-one
CID 68832624
1-(2-Bicyclo[2.2.1]hept-5-enyl)-1-piperidin-1-ylpropan-2-one
CID 68832626
3-(2-Bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropanal
CID 88009701
1-(2-Bicyclo[4.2.0]oct-7-enyl)-3-piperidin-1-ylpropan-1-one
CID 89351585

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-1-one;methane?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-1-one;methane (CID 142186993) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-1-one;methane.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-1-one;methane?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-1-one;methane is C.O=C(CCN1CCCCC1)C1CC2C=CC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-1-one;methane?
The InChIKey is OMUOXZHREFXFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.CH4/c17-15(6-9-16-7-2-1-3-8-16)14-11-12-4-5-13(14)10-12;/h4-5,12-14H,1-3,6-11H2;1H4.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-1-one;methane?
1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-1-one;methane has a molecular weight of 249.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-1-one;methane is sourced from PubChem (CID 142186993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).