1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine

C11H20N2 — CID 98126141

IUPAC1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine
SMILESC1CN([C@H]2C[C@H]3CC[C@H]2C3)CCN1
InChIInChI=1S/C11H20N2/c1-2-10-7-9(1)8-11(10)13-5-3-12-4-6-13/h9-12H,1-8H2/t9-,10-,11-/m0/s1
InChIKeyLLAVOYVMTSPJFK-DCAQKATOSA-N
MW180.29 g/mol
LogP1.08
Rot. Bonds1

About 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine

1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine (PubChem CID 98126141) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine.

Molecular Properties

Compound Name1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine
PubChem CID98126141
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine
SMILESC1CN([C@H]2C[C@H]3CC[C@H]2C3)CCN1
InChIInChI=1S/C11H20N2/c1-2-10-7-9(1)8-11(10)13-5-3-12-4-6-13/h9-12H,1-8H2/t9-,10-,11-/m0/s1
InChIKeyLLAVOYVMTSPJFK-DCAQKATOSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]azepane
CID 10774159
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethylsulfonylpiperazine
CID 7325613
1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methylpropyl)piperazine
CID 139318530
1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethyl)piperazine
CID 71979060
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperazine
CID 124864863
1-(2-bicyclo[2.2.1]heptanyl)-4-phenylpiperazine
CID 2846385
bicyclo[2.2.1]heptan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methylphenyl)piperazine;1-(2-methylphenyl)piperazine
CID 162202864
11-(2-bicyclo[2.2.1]heptanyl)-7,11-diazaspiro[5.6]dodecane
CID 64948843
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-propylsulfonylpiperazine
CID 7271010
(2S,6R)-4-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-2,6-dimethylmorpholine
CID 124764201
1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 6542710
1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 6942192

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine?
The IUPAC name of 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine (CID 98126141) is 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine.
What is the SMILES notation for 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine?
The canonical SMILES for 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine is C1CN([C@H]2C[C@H]3CC[C@H]2C3)CCN1.
What is the InChIKey of 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine?
The InChIKey is LLAVOYVMTSPJFK-DCAQKATOSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-10-7-9(1)8-11(10)13-5-3-12-4-6-13/h9-12H,1-8H2/t9-,10-,11-/m0/s1.
What are the key properties of 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine?
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine has a molecular weight of 180.29 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine is sourced from PubChem (CID 98126141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).