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

C14H26N2 — CID 742679

IUPAC1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1
InChIInChI=1S/C14H26N2/c1-11(2)15-5-7-16(8-6-15)14-10-12-3-4-13(14)9-12/h11-14H,3-10H2,1-2H3/t12-,13+,14+/m0/s1
InChIKeyZKNGMOFSLSZLST-BFHYXJOUSA-N
MW222.38 g/mol
LogP2.20
Rot. Bonds2

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

1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-propan-2-ylpiperazine (PubChem CID 742679) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-propan-2-ylpiperazine
PubChem CID742679
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1
InChIInChI=1S/C14H26N2/c1-11(2)15-5-7-16(8-6-15)14-10-12-3-4-13(14)9-12/h11-14H,3-10H2,1-2H3/t12-,13+,14+/m0/s1
InChIKeyZKNGMOFSLSZLST-BFHYXJOUSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.20
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-propan-2-ylpiperazine?
The IUPAC name of 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-propan-2-ylpiperazine (CID 742679) is 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-propan-2-ylpiperazine is CC(C)N1CCN([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-propan-2-ylpiperazine?
The InChIKey is ZKNGMOFSLSZLST-BFHYXJOUSA-N. The full InChI is InChI=1S/C14H26N2/c1-11(2)15-5-7-16(8-6-15)14-10-12-3-4-13(14)9-12/h11-14H,3-10H2,1-2H3/t12-,13+,14+/m0/s1.
What are the key properties of 1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-propan-2-ylpiperazine?
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-propan-2-ylpiperazine has a molecular weight of 222.38 g/mol, XLogP of 2.20, 2 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-propan-2-ylpiperazine is sourced from PubChem (CID 742679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).