1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine

C17H23ClN2 — CID 6456424

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine
SMILESClc1cccc(N2CCN(C3CC4CCC3C4)CC2)c1
InChIInChI=1S/C17H23ClN2/c18-15-2-1-3-16(12-15)19-6-8-20(9-7-19)17-11-13-4-5-14(17)10-13/h1-3,12-14,17H,4-11H2
InChIKeyXVQLXPBCFBLINW-UHFFFAOYSA-N
MW290.84 g/mol
LogP3.65
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine

1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine (PubChem CID 6456424) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine
PubChem CID6456424
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine
SMILESClc1cccc(N2CCN(C3CC4CCC3C4)CC2)c1
InChIInChI=1S/C17H23ClN2/c18-15-2-1-3-16(12-15)19-6-8-20(9-7-19)17-11-13-4-5-14(17)10-13/h1-3,12-14,17H,4-11H2
InChIKeyXVQLXPBCFBLINW-UHFFFAOYSA-N
XLogP3.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-4-phenylpiperazine
CID 2846385
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;1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-chlorophenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-fluorophenyl)piperazine
CID 159751711
trans-(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol
CID 102731807
1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chloro-2-pyridinyl)piperazine
CID 11630701
[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclobutyl]methanamine
CID 80997683
1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine
CID 784467
[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-(4-chloro-2-fluorophenyl)methanone
CID 86813261
1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-chlorophenyl)methyl]piperazine
CID 50935549
2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-one
CID 62053498
1-(3-chlorophenyl)azonane
CID 145391535
N-[(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784679

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine (CID 6456424) is 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine is Clc1cccc(N2CCN(C3CC4CCC3C4)CC2)c1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine?
The InChIKey is XVQLXPBCFBLINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2/c18-15-2-1-3-16(12-15)19-6-8-20(9-7-19)17-11-13-4-5-14(17)10-13/h1-3,12-14,17H,4-11H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine?
1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine has a molecular weight of 290.84 g/mol, XLogP of 3.65, 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-(3-chlorophenyl)piperazine is sourced from PubChem (CID 6456424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).