1-(2-bicyclo[2.2.1]heptanyl)-4-phenylpiperazine

C17H24N2 — CID 2846385

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4-phenylpiperazine
SMILESc1ccc(N2CCN(C3CC4CCC3C4)CC2)cc1
InChIInChI=1S/C17H24N2/c1-2-4-16(5-3-1)18-8-10-19(11-9-18)17-13-14-6-7-15(17)12-14/h1-5,14-15,17H,6-13H2
InChIKeyMVECBLIDFXQFDF-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.00
Rot. Bonds2

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

1-(2-bicyclo[2.2.1]heptanyl)-4-phenylpiperazine (PubChem CID 2846385) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-4-phenylpiperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4-phenylpiperazine
PubChem CID2846385
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4-phenylpiperazine
SMILESc1ccc(N2CCN(C3CC4CCC3C4)CC2)cc1
InChIInChI=1S/C17H24N2/c1-2-4-16(5-3-1)18-8-10-19(11-9-18)17-13-14-6-7-15(17)12-14/h1-5,14-15,17H,6-13H2
InChIKeyMVECBLIDFXQFDF-UHFFFAOYSA-N
XLogP3.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-phenylpiperazine
CID 11877899
1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine
CID 6456424
1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chloro-2-pyridinyl)piperazine
CID 11630701
1-(2-adamantyl)-4-phenylpiperazine
CID 1378368
1-(1-benzylpiperidin-4-yl)-4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine
CID 11896886
1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine;oxalic acid
CID 17385176
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-phenylethanol
CID 111701832
2-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]phenol
CID 58772232
1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2-bromophenyl)methyl]piperazine
CID 98125128
1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperidine
CID 58772016
1-[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-phenoxyethanone
CID 11896902
5-[4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]phenyl]-2-(2-methylquinazolin-4-yl)-1H-1,2,4-triazole-3,5-diamine
CID 143719119

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-phenylpiperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-phenylpiperazine (CID 2846385) is 1-(2-bicyclo[2.2.1]heptanyl)-4-phenylpiperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4-phenylpiperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4-phenylpiperazine is c1ccc(N2CCN(C3CC4CCC3C4)CC2)cc1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4-phenylpiperazine?
The InChIKey is MVECBLIDFXQFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-2-4-16(5-3-1)18-8-10-19(11-9-18)17-13-14-6-7-15(17)12-14/h1-5,14-15,17H,6-13H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4-phenylpiperazine?
1-(2-bicyclo[2.2.1]heptanyl)-4-phenylpiperazine has a molecular weight of 256.39 g/mol, XLogP of 3.00, 2 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-phenylpiperazine is sourced from PubChem (CID 2846385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).