1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-butan-2-ylpiperazine

C16H28N2 — CID 2881302

IUPAC1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-butan-2-ylpiperazine
SMILESCCC(C)N1CCN(CC2CC3C=CC2C3)CC1
InChIInChI=1S/C16H28N2/c1-3-13(2)18-8-6-17(7-9-18)12-16-11-14-4-5-15(16)10-14/h4-5,13-16H,3,6-12H2,1-2H3
InChIKeyGZCRAGOTMUZNSI-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.61
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-butan-2-ylpiperazine

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-butan-2-ylpiperazine (PubChem CID 2881302) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-butan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-butan-2-ylpiperazine
PubChem CID2881302
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-butan-2-ylpiperazine
SMILESCCC(C)N1CCN(CC2CC3C=CC2C3)CC1
InChIInChI=1S/C16H28N2/c1-3-13(2)18-8-6-17(7-9-18)12-16-11-14-4-5-15(16)10-14/h4-5,13-16H,3,6-12H2,1-2H3
InChIKeyGZCRAGOTMUZNSI-UHFFFAOYSA-N
XLogP2.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.61
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-ylmethyl)-4-ethylpiperazine
CID 2845906
5-Norbornene-2-methylamine, N-cyclopropyl-N-methyl-
CID 204476
1-(5-Bicyclo[2.2.1]hept-2-enylmethyl)-4-piperidin-1-ylpiperidine
CID 2845448
Cambridge id 5429487
CID 2846063
1-(Cyclohex-3-en-1-ylmethyl)-4-cyclopentylpiperazine
CID 2881661
1-(Butan-2-yl)-4-(cyclohex-3-en-1-ylmethyl)piperazine
CID 2881666
1-(Bicyclo[2.2.1]hept-5-en-2-ylmethyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine
CID 3150613
1-(Cyclohex-3-en-1-ylmethyl)-4-(pentan-3-yl)piperazine
CID 3150616
1-(2-Bicyclo[2.2.1]hept-5-enylmethyl)-4-(6-fluorocyclohexa-2,4-dien-1-yl)piperazine
CID 143025769
(Bicyclo[2.2.1]hept-5-en-2-ylmethyl)bis[3-(dimethylamino)propyl]amine
CID 2845840
1-(Bicyclo[2.2.1]hept-5-en-2-ylmethyl)-4-cyclopentylpiperazine
CID 2881306
1-(Bicyclo[2.2.1]hept-5-en-2-ylmethyl)-4-cycloheptylpiperazine
CID 2881483

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-butan-2-ylpiperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-butan-2-ylpiperazine (CID 2881302) is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-butan-2-ylpiperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-butan-2-ylpiperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-butan-2-ylpiperazine is CCC(C)N1CCN(CC2CC3C=CC2C3)CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-butan-2-ylpiperazine?
The InChIKey is GZCRAGOTMUZNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-3-13(2)18-8-6-17(7-9-18)12-16-11-14-4-5-15(16)10-14/h4-5,13-16H,3,6-12H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-butan-2-ylpiperazine?
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-butan-2-ylpiperazine has a molecular weight of 248.41 g/mol, XLogP of 2.61, 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-enylmethyl)-4-butan-2-ylpiperazine is sourced from PubChem (CID 2881302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).