1-(3-bicyclo[3.2.1]octanyl)-4-(2-chlorophenyl)piperazine

C18H25ClN2 — CID 11381175

IUPAC1-(3-bicyclo[3.2.1]octanyl)-4-(2-chlorophenyl)piperazine
SMILESClc1ccccc1N1CCN(C2CC3CCC(C3)C2)CC1
InChIInChI=1S/C18H25ClN2/c19-17-3-1-2-4-18(17)21-9-7-20(8-10-21)16-12-14-5-6-15(11-14)13-16/h1-4,14-16H,5-13H2
InChIKeyULKULVJKSRGGNB-UHFFFAOYSA-N
MW304.86 g/mol
LogP4.04
Rot. Bonds2

About 1-(3-bicyclo[3.2.1]octanyl)-4-(2-chlorophenyl)piperazine

1-(3-bicyclo[3.2.1]octanyl)-4-(2-chlorophenyl)piperazine (PubChem CID 11381175) has the molecular formula C18H25ClN2 and a molecular weight of 304.86 g/mol. Its IUPAC name is 1-(3-bicyclo[3.2.1]octanyl)-4-(2-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-(3-bicyclo[3.2.1]octanyl)-4-(2-chlorophenyl)piperazine
PubChem CID11381175
Molecular FormulaC18H25ClN2
Molecular Weight304.86 g/mol
Exact Mass304.17
IUPAC Name1-(3-bicyclo[3.2.1]octanyl)-4-(2-chlorophenyl)piperazine
SMILESClc1ccccc1N1CCN(C2CC3CCC(C3)C2)CC1
InChIInChI=1S/C18H25ClN2/c19-17-3-1-2-4-18(17)21-9-7-20(8-10-21)16-12-14-5-6-15(11-14)13-16/h1-4,14-16H,5-13H2
InChIKeyULKULVJKSRGGNB-UHFFFAOYSA-N
XLogP4.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.2.1]octanyl)-4-(2-chlorophenyl)piperazine?
The IUPAC name of 1-(3-bicyclo[3.2.1]octanyl)-4-(2-chlorophenyl)piperazine (CID 11381175) is 1-(3-bicyclo[3.2.1]octanyl)-4-(2-chlorophenyl)piperazine.
What is the SMILES notation for 1-(3-bicyclo[3.2.1]octanyl)-4-(2-chlorophenyl)piperazine?
The canonical SMILES for 1-(3-bicyclo[3.2.1]octanyl)-4-(2-chlorophenyl)piperazine is Clc1ccccc1N1CCN(C2CC3CCC(C3)C2)CC1.
What is the InChIKey of 1-(3-bicyclo[3.2.1]octanyl)-4-(2-chlorophenyl)piperazine?
The InChIKey is ULKULVJKSRGGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2/c19-17-3-1-2-4-18(17)21-9-7-20(8-10-21)16-12-14-5-6-15(11-14)13-16/h1-4,14-16H,5-13H2.
What are the key properties of 1-(3-bicyclo[3.2.1]octanyl)-4-(2-chlorophenyl)piperazine?
1-(3-bicyclo[3.2.1]octanyl)-4-(2-chlorophenyl)piperazine has a molecular weight of 304.86 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.2.1]octanyl)-4-(2-chlorophenyl)piperazine is sourced from PubChem (CID 11381175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).