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

C17H24N2 — CID 64931531

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-2-phenylpiperazine
SMILESc1ccc(C2CNCCN2C2CC3CCC2C3)cc1
InChIInChI=1S/C17H24N2/c1-2-4-14(5-3-1)17-12-18-8-9-19(17)16-11-13-6-7-15(16)10-13/h1-5,13,15-18H,6-12H2
InChIKeyCHJQODLBQXRMAE-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.82
Rot. Bonds2

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

1-(2-bicyclo[2.2.1]heptanyl)-2-phenylpiperazine (PubChem CID 64931531) 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)-2-phenylpiperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-2-phenylpiperazine
PubChem CID64931531
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-2-phenylpiperazine
SMILESc1ccc(C2CNCCN2C2CC3CCC2C3)cc1
InChIInChI=1S/C17H24N2/c1-2-4-14(5-3-1)17-12-18-8-9-19(17)16-11-13-6-7-15(16)10-13/h1-5,13,15-18H,6-12H2
InChIKeyCHJQODLBQXRMAE-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylcyclopentyl)-2-phenylpiperazine
CID 64931533
1-cyclobutyl-2-phenylpiperazine
CID 64931514
1-(3,5-dimethylcyclohexyl)-2-phenylpiperazine
CID 64930739
1-(1-methylpiperidin-4-yl)-2-phenylpiperazine
CID 64936522
1-(3-methylcyclohexyl)-2-phenylpiperazine
CID 64938818
2-phenylpiperazine-1-carbonyl chloride
CID 154387784
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine
CID 98126141
(4S,9aR)-4-phenyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine;hydrochloride
CID 154919958
1-(cyclopentylmethyl)-2-phenylpiperazine
CID 64832948
1-(cyclobutylmethyl)-2-phenylpiperazine
CID 64936519
1-(2-bicyclo[2.2.1]heptanyl)-4-phenylpiperazine
CID 2846385
(1S,4R)-2-phenylbicyclo[2.2.1]heptane
CID 10965003

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-phenylpiperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-phenylpiperazine (CID 64931531) is 1-(2-bicyclo[2.2.1]heptanyl)-2-phenylpiperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-2-phenylpiperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-2-phenylpiperazine is c1ccc(C2CNCCN2C2CC3CCC2C3)cc1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-2-phenylpiperazine?
The InChIKey is CHJQODLBQXRMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-2-4-14(5-3-1)17-12-18-8-9-19(17)16-11-13-6-7-15(16)10-13/h1-5,13,15-18H,6-12H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-2-phenylpiperazine?
1-(2-bicyclo[2.2.1]heptanyl)-2-phenylpiperazine has a molecular weight of 256.39 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-2-phenylpiperazine is sourced from PubChem (CID 64931531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).