1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine

C19H30N2 — CID 98124191

IUPAC1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine
SMILESC1=CC[C@H](CN2CCN(C[C@@H]3C[C@H]4C=C[C@H]3C4)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/t16-,17-,18-,19-/m0/s1
InChIKeyUYTWIDNXSZFDQW-VJANTYMQSA-N
MW286.46 g/mol
LogP3.17
Rot. Bonds4

About 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine

1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine (PubChem CID 98124191) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine
PubChem CID98124191
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine
SMILESC1=CC[C@H](CN2CCN(C[C@@H]3C[C@H]4C=C[C@H]3C4)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/t16-,17-,18-,19-/m0/s1
InChIKeyUYTWIDNXSZFDQW-VJANTYMQSA-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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Related Compounds

1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine
CID 98124188
1-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-4-ol
CID 18389193
2-[4-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazin-1-yl]ethanol
CID 11871342
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cycloheptylpiperazine
CID 98125656
1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cycloheptylpiperazine
CID 742638
1-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-ethylsulfonylpiperazine
CID 18389111
1-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-methylsulfonylpiperazine
CID 7221368
1-(cyclohex-3-en-1-ylmethyl)-4-cyclopentylpiperazine
CID 2881661
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-cyclopentylpiperazine
CID 773063
1-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-pentan-3-ylpiperazine
CID 11896721
1-cycloheptyl-4-(cyclohex-3-en-1-ylmethyl)piperazine
CID 2881401
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine
CID 124731696

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine?
The IUPAC name of 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine (CID 98124191) is 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine.
What is the SMILES notation for 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine?
The canonical SMILES for 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine is C1=CC[C@H](CN2CCN(C[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)CC1.
What is the InChIKey of 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine?
The InChIKey is UYTWIDNXSZFDQW-VJANTYMQSA-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/t16-,17-,18-,19-/m0/s1.
What are the key properties of 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine?
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[[(1R)-cyclohex-3-en-1-yl]methyl]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-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine is sourced from PubChem (CID 98124191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).