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

C15H28N2 — CID 139318530

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN(C2CC3CCC2C3)CC1
InChIInChI=1S/C15H28N2/c1-12(2)11-16-5-7-17(8-6-16)15-10-13-3-4-14(15)9-13/h12-15H,3-11H2,1-2H3
InChIKeyYLPLXLPLZOBJAH-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.45
Rot. Bonds3

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

1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methylpropyl)piperazine (PubChem CID 139318530) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methylpropyl)piperazine
PubChem CID139318530
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN(C2CC3CCC2C3)CC1
InChIInChI=1S/C15H28N2/c1-12(2)11-16-5-7-17(8-6-16)15-10-13-3-4-14(15)9-13/h12-15H,3-11H2,1-2H3
InChIKeyYLPLXLPLZOBJAH-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethyl)piperazine
CID 71979060
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-phenylethanol
CID 111701832
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethylsulfonylpiperazine
CID 7325613
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-(2,6-difluorophenyl)ethanol
CID 111701838
1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]azepane
CID 10774159
1-[3-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one
CID 111753969
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
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103780287
1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-chlorophenyl)methyl]piperazine
CID 50935549
(2R)-2-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119894956
2-[4-(2-methylpropyl)piperazin-1-yl]cyclopentan-1-amine
CID 62776201
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-propylsulfonylpiperazine
CID 7271010

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methylpropyl)piperazine (CID 139318530) is 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methylpropyl)piperazine is CC(C)CN1CCN(C2CC3CCC2C3)CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methylpropyl)piperazine?
The InChIKey is YLPLXLPLZOBJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-12(2)11-16-5-7-17(8-6-16)15-10-13-3-4-14(15)9-13/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methylpropyl)piperazine?
1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methylpropyl)piperazine has a molecular weight of 236.40 g/mol, XLogP of 2.45, 3 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]heptanyl)-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 139318530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).