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

C12H22N2 — CID 784391

IUPAC1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazine
SMILESCN1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1
InChIInChI=1S/C12H22N2/c1-13-4-6-14(7-5-13)12-9-10-2-3-11(12)8-10/h10-12H,2-9H2,1H3/t10-,11+,12+/m0/s1
InChIKeyRAWVLJSYXIAGKW-QJPTWQEYSA-N
MW194.32 g/mol
LogP1.42
Rot. Bonds1

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

1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazine (PubChem CID 784391) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazine
PubChem CID784391
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazine
SMILESCN1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1
InChIInChI=1S/C12H22N2/c1-13-4-6-14(7-5-13)12-9-10-2-3-11(12)8-10/h10-12H,2-9H2,1H3/t10-,11+,12+/m0/s1
InChIKeyRAWVLJSYXIAGKW-QJPTWQEYSA-N
XLogP1.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazine?
The IUPAC name of 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazine (CID 784391) is 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazine?
The canonical SMILES for 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazine is CN1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1.
What is the InChIKey of 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazine?
The InChIKey is RAWVLJSYXIAGKW-QJPTWQEYSA-N. The full InChI is InChI=1S/C12H22N2/c1-13-4-6-14(7-5-13)12-9-10-2-3-11(12)8-10/h10-12H,2-9H2,1H3/t10-,11+,12+/m0/s1.
What are the key properties of 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazine?
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazine has a molecular weight of 194.32 g/mol, XLogP of 1.42, 1 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]heptanyl]-4-methylpiperazine is sourced from PubChem (CID 784391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).