1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine

C19H30N2 — CID 3150613

IUPAC1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine
SMILESC1=CCC(CN2CCN(CC3CC4C=CC3C4)CC2)CC1
InChIInChI=1S/C19H30N2/c1-2-4-16(5-3-1)14-20-8-10-21(11-9-20)15-19-13-17-6-7-18(19)12-17/h1-2,6-7,16-19H,3-5,8-15H2
InChIKeyUYTWIDNXSZFDQW-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.17
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine (PubChem CID 3150613) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine
PubChem CID3150613
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine
SMILESC1=CCC(CN2CCN(CC3CC4C=CC3C4)CC2)CC1
InChIInChI=1S/C19H30N2/c1-2-4-16(5-3-1)14-20-8-10-21(11-9-20)15-19-13-17-6-7-18(19)12-17/h1-2,6-7,16-19H,3-5,8-15H2
InChIKeyUYTWIDNXSZFDQW-UHFFFAOYSA-N
XLogP3.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine (CID 3150613) is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine is C1=CCC(CN2CCN(CC3CC4C=CC3C4)CC2)CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine?
The InChIKey is UYTWIDNXSZFDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-2-4-16(5-3-1)14-20-8-10-21(11-9-20)15-19-13-17-6-7-18(19)12-17/h1-2,6-7,16-19H,3-5,8-15H2.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine?
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine has a molecular weight of 286.46 g/mol, XLogP of 3.17, 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-(cyclohex-3-en-1-ylmethyl)piperazine is sourced from PubChem (CID 3150613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).