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

C16H22ClN3 — CID 11630701

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chloro-2-pyridinyl)piperazine
SMILESClc1cccnc1N1CCN(C2CC3CCC2C3)CC1
InChIInChI=1S/C16H22ClN3/c17-14-2-1-5-18-16(14)20-8-6-19(7-9-20)15-11-12-3-4-13(15)10-12/h1-2,5,12-13,15H,3-4,6-11H2
InChIKeyTVZSVEBJQUZYRM-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.05
Rot. Bonds2

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

1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chloro-2-pyridinyl)piperazine (PubChem CID 11630701) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chloro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chloro-2-pyridinyl)piperazine
PubChem CID11630701
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chloro-2-pyridinyl)piperazine
SMILESClc1cccnc1N1CCN(C2CC3CCC2C3)CC1
InChIInChI=1S/C16H22ClN3/c17-14-2-1-5-18-16(14)20-8-6-19(7-9-20)15-11-12-3-4-13(15)10-12/h1-2,5,12-13,15H,3-4,6-11H2
InChIKeyTVZSVEBJQUZYRM-UHFFFAOYSA-N
XLogP3.05
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chloro-2-pyridinyl)piperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chloro-2-pyridinyl)piperazine (CID 11630701) is 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chloro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chloro-2-pyridinyl)piperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chloro-2-pyridinyl)piperazine is Clc1cccnc1N1CCN(C2CC3CCC2C3)CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chloro-2-pyridinyl)piperazine?
The InChIKey is TVZSVEBJQUZYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c17-14-2-1-5-18-16(14)20-8-6-19(7-9-20)15-11-12-3-4-13(15)10-12/h1-2,5,12-13,15H,3-4,6-11H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chloro-2-pyridinyl)piperazine?
1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chloro-2-pyridinyl)piperazine has a molecular weight of 291.83 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chloro-2-pyridinyl)piperazine is sourced from PubChem (CID 11630701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).