1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cycloheptylpiperazine

C19H32N2 — CID 742638

IUPAC1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cycloheptylpiperazine
SMILESC1=C[C@H]2C[C@@H]1C[C@@H]2CN1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C19H32N2/c1-2-4-6-19(5-3-1)21-11-9-20(10-12-21)15-18-14-16-7-8-17(18)13-16/h7-8,16-19H,1-6,9-15H2/t16-,17+,18-/m1/s1
InChIKeyXCBFRNWRTZBQAU-FGTMMUONSA-N
MW288.48 g/mol
LogP3.54
Rot. Bonds3

About 1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cycloheptylpiperazine

1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cycloheptylpiperazine (PubChem CID 742638) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cycloheptylpiperazine.

Molecular Properties

Compound Name1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cycloheptylpiperazine
PubChem CID742638
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cycloheptylpiperazine
SMILESC1=C[C@H]2C[C@@H]1C[C@@H]2CN1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C19H32N2/c1-2-4-6-19(5-3-1)21-11-9-20(10-12-21)15-18-14-16-7-8-17(18)13-16/h7-8,16-19H,1-6,9-15H2/t16-,17+,18-/m1/s1
InChIKeyXCBFRNWRTZBQAU-FGTMMUONSA-N
XLogP3.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.54
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-cycloheptylpiperazine
CID 98125656
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-[1-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-4-yl]-4-methylpiperazine
CID 7344859
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-methylcyclohexyl)piperazine;oxalic acid
CID 17369814
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
1-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-4-ol
CID 18389193
1-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-methylsulfonylpiperazine
CID 7221368
2-[4-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazin-1-yl]ethanol
CID 11871342
1-[1-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-4-yl]-4-(2-fluorophenyl)piperazine
CID 7329180
1-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-ethylsulfonylpiperazine
CID 18389111
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine
CID 98124191
1-[1-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 7111600

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cycloheptylpiperazine?
The IUPAC name of 1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cycloheptylpiperazine (CID 742638) is 1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cycloheptylpiperazine.
What is the SMILES notation for 1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cycloheptylpiperazine?
The canonical SMILES for 1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cycloheptylpiperazine is C1=C[C@H]2C[C@@H]1C[C@@H]2CN1CCN(C2CCCCCC2)CC1.
What is the InChIKey of 1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cycloheptylpiperazine?
The InChIKey is XCBFRNWRTZBQAU-FGTMMUONSA-N. The full InChI is InChI=1S/C19H32N2/c1-2-4-6-19(5-3-1)21-11-9-20(10-12-21)15-18-14-16-7-8-17(18)13-16/h7-8,16-19H,1-6,9-15H2/t16-,17+,18-/m1/s1.
What are the key properties of 1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cycloheptylpiperazine?
1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cycloheptylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-cycloheptylpiperazine is sourced from PubChem (CID 742638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).